#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 -2.31 0.00 1.61 -0.04 -1.26 -4.16 135.00 128.83 1xsc n PRO 2 Ca 0.00 -1.48 0.00 0.00 -0.04 0.00 0.00 63.50 61.98 1xsc n PRO 2 Cb 0.00 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 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 0.00 0.00 -0.01 1.53 7.99 -1.26 -4.35 117.00 120.90 1xsc n LEU 3 Ca 0.13 0.00 -0.00 0.00 -0.01 0.00 0.00 56.01 56.13 1xsc n LEU 3 Cb 0.47 0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 43.78 1xsc n LEU 3 CO 0.33 0.00 -0.00 0.61 -1.51 0.00 0.00 177.39 176.82 1xsc n GLY 4 N 0.00 0.43 0.08 -0.72 0.00 -1.26 -4.91 105.19 98.81 1xsc n GLY 4 Ca 0.00 -0.68 0.08 0.00 0.00 0.00 0.00 46.02 45.42 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 1.23 2.33 -4.51 1.61 7.64 -1.26 -5.03 113.62 115.63 1xsc n SER 5 Ca -0.00 -2.89 -0.50 0.00 1.01 0.00 0.00 58.87 56.50 1xsc n SER 5 Cb 0.00 -0.35 -0.06 0.00 -1.01 0.00 0.00 64.21 62.79 1xsc n SER 5 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1xsc n MET 6 N -1.24 1.35 -0.61 1.43 1.56 -1.26 -4.25 117.12 114.09 1xsc n MET 6 Ca 0.13 0.39 0.00 0.00 -0.27 0.00 0.00 57.70 57.96 1xsc n MET 6 Cb 0.58 -2.59 0.00 0.00 2.15 0.00 0.00 33.22 33.36 1xsc n MET 6 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1xsc n ALA 7 N 9.57 -2.04 -2.30 -5.12 0.00 -1.26 -4.89 120.51 114.46 1xsc n ALA 7 Ca 0.37 0.17 -0.42 0.00 0.00 0.00 0.00 53.44 53.55 1xsc n ALA 7 Cb 0.27 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 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 -2.08 4.31 -0.42 0.00 1.02 0.24 -4.85 118.68 116.90 1xsc s LEU 8 Ca 0.00 2.03 -0.29 0.00 0.02 0.00 0.00 54.13 55.89 1xsc s LEU 8 Cb 0.00 -3.56 0.02 0.00 0.02 0.00 0.00 46.19 42.67 1xsc s LEU 8 CO 0.00 -0.66 1.21 -0.60 0.02 0.00 0.00 176.35 176.32 1xsc s ARG 9 N 2.20 3.76 0.29 1.70 3.52 -1.26 -0.22 118.95 128.94 1xsc s ARG 9 Ca 0.61 0.79 0.04 0.00 -0.13 0.00 0.00 55.73 57.04 1xsc s ARG 9 Cb -0.29 -3.91 -0.06 0.00 -1.56 0.00 0.00 34.95 29.13 1xsc s ARG 9 CO 0.25 -1.33 0.03 0.00 -0.81 0.00 0.00 175.30 173.45 1xsc s ALA 10 N 4.54 2.18 -0.26 6.12 0.00 0.10 -0.95 121.76 133.50 1xsc s ALA 10 Ca 0.51 -1.96 -0.10 0.00 0.00 0.00 0.00 51.96 50.41 1xsc s ALA 10 Cb -0.10 0.60 0.11 0.00 0.00 0.00 0.00 23.12 23.72 1xsc s ALA 10 CO 0.29 -0.28 0.57 0.00 0.00 0.00 0.00 175.76 176.34 1xsc s GLY 12 N 2.50 2.41 -0.16 0.00 0.00 0.25 -0.49 107.32 111.83 1xsc s GLY 12 Ca -0.06 -1.83 0.00 0.00 0.00 0.00 0.00 44.72 42.83 1xsc s GLY 12 CO -0.17 -1.95 -0.09 -2.27 0.00 0.00 0.00 173.10 168.62 1xsc s LEU 13 N -3.95 1.75 -0.96 0.66 0.20 -1.07 -3.52 118.68 111.78 1xsc s LEU 13 Ca 0.37 -0.62 -0.22 0.00 0.69 0.00 0.00 54.13 54.34 1xsc s LEU 13 Cb 0.03 -1.06 0.07 0.00 -0.43 0.00 0.00 46.19 44.80 1xsc s LEU 13 CO 0.20 -0.13 1.33 -0.63 -0.29 0.00 0.00 176.35 176.84 1xsc s ILE 14 N 1.54 4.13 0.36 6.68 1.01 0.12 -4.30 121.20 130.73 1xsc s ILE 14 Ca 0.02 -0.86 -0.25 0.00 0.00 0.00 0.00 60.65 59.56 1xsc s ILE 14 Cb -0.14 -4.96 -0.10 0.00 0.01 0.00 0.00 42.46 37.27 1xsc s ILE 14 CO -0.09 -1.80 0.98 -0.63 0.00 0.00 0.00 174.94 173.40 1xsc s ILE 15 N 4.41 4.07 -0.16 2.92 1.01 -1.26 -1.77 121.20 130.42 1xsc s ILE 15 Ca 0.41 1.63 -0.06 0.00 0.00 0.00 0.00 60.65 62.63 1xsc s ILE 15 Cb -0.03 -3.86 0.07 0.00 0.01 0.00 0.00 42.46 38.65 1xsc s ILE 15 CO -0.07 0.05 0.33 0.72 0.00 0.00 0.00 174.94 175.97 1xsc s PHE 16 N -1.68 -0.57 -0.44 3.97 -0.71 0.14 -1.26 117.98 117.43 1xsc s PHE 16 Ca 0.54 1.19 -0.28 0.00 -1.04 0.00 0.00 56.93 57.33 1xsc s PHE 16 Cb -0.19 0.12 0.03 0.00 -1.21 0.00 0.00 43.02 41.76 1xsc s PHE 16 CO 0.24 -0.39 1.08 0.50 -1.34 0.00 0.00 175.22 175.31 1xsc s ARG 17 N 2.34 3.78 -0.15 1.99 3.00 0.20 -3.74 118.95 126.37 1xsc s ARG 17 Ca -0.01 0.62 -0.10 0.00 -1.00 0.00 0.00 55.73 55.23 1xsc s ARG 17 Cb -0.12 -3.87 -0.05 0.00 0.00 0.00 0.00 34.95 30.92 1xsc s ARG 17 CO -0.10 -1.24 0.20 0.50 0.00 0.00 0.00 175.30 174.66 1xsc s ARG 18 N 4.14 3.93 0.30 5.12 6.06 -1.26 -2.13 118.95 135.11 1xsc s ARG 18 Ca 0.45 -0.06 0.03 0.00 -2.50 0.00 0.00 55.73 53.65 1xsc s ARG 18 Cb -0.09 -3.33 -0.03 0.00 0.06 0.00 0.00 34.95 31.56 1xsc s ARG 18 CO 0.27 0.48 0.47 0.00 -2.50 0.00 0.00 175.30 174.02 1xsc h LEU 20 N 0.93 -0.73 -8.30 0.00 -0.00 -1.99 -3.46 115.31 101.76 1xsc h LEU 20 Ca -0.51 0.03 -0.35 0.00 -0.00 0.00 0.00 57.88 57.05 1xsc h LEU 20 Cb 1.22 0.19 -0.21 0.00 -0.00 0.00 0.00 40.66 41.86 1xsc h LEU 20 CO 0.61 -0.51 -0.76 0.27 -0.00 0.00 0.00 178.44 178.05 1xsc s ILE 21 N -4.81 0.84 0.61 0.15 -5.25 -1.26 -5.15 121.20 106.34 1xsc s ILE 21 Ca -0.13 -1.21 -0.18 0.00 -0.99 0.00 0.00 60.65 58.14 1xsc s ILE 21 Cb 0.01 -0.87 -0.02 0.00 2.95 0.00 0.00 42.46 44.53 1xsc s ILE 21 CO 0.38 -0.31 1.18 -2.84 -1.79 0.00 0.00 174.94 171.56 1xsc s PRO 22 N -1.70 2.89 0.00 0.37 0.02 -1.26 -5.02 135.00 130.31 1xsc s PRO 22 Ca -0.05 1.71 0.00 0.00 0.02 0.00 0.00 61.00 62.68 1xsc s PRO 22 Cb -0.10 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.49 1xsc s PRO 22 CO 0.01 -1.24 0.00 1.63 -0.33 0.00 0.00 177.00 177.07 1xsc n LYS 23 N -1.82 0.00 -0.20 5.54 4.01 -1.26 -4.81 118.16 119.61 1xsc n LYS 23 Ca 0.13 0.00 0.06 0.00 -0.51 0.00 0.00 58.31 57.98 1xsc n LYS 23 Cb 0.50 -0.36 0.16 0.00 -0.51 0.00 0.00 35.03 34.82 1xsc n LYS 23 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1xsc n VAL 24 N -2.48 1.17 -3.30 -0.18 0.31 -1.26 -4.97 118.33 107.62 1xsc n VAL 24 Ca 0.00 -1.12 -0.22 0.00 -0.01 0.00 0.00 64.34 62.99 1xsc n VAL 24 Cb 0.00 0.40 0.06 0.00 -0.91 0.00 0.00 33.84 33.39 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 0.31 -5.95 -0.00 4.52 -0.08 -1.26 -4.95 116.55 109.14 1xsc n ASP 25 Ca 0.12 -0.41 -0.00 0.00 -1.51 0.00 0.00 54.79 52.99 1xsc n ASP 25 Cb 0.48 -4.65 -0.00 0.00 2.34 0.00 0.00 41.12 39.29 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 -2.47 0.08 -3.58 1.67 2.85 -1.26 -4.99 115.26 107.56 1xsc n ASN 26 Ca -0.03 0.01 -0.28 0.00 -0.11 0.00 0.00 54.58 54.17 1xsc n ASN 26 Cb 0.58 -0.51 -0.16 0.00 1.24 0.00 0.00 39.78 40.93 1xsc n ASN 26 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 1xsc s ASN 27 N -4.09 3.04 0.00 1.20 0.01 -1.26 -4.99 114.94 108.85 1xsc s ASN 27 Ca -0.01 -1.00 0.09 0.00 -0.71 0.00 0.00 52.86 51.22 1xsc s ASN 27 Cb 0.00 -0.33 -0.23 0.00 0.41 0.00 0.00 41.25 41.10 1xsc s ASN 27 CO 0.02 -0.40 0.84 0.00 -1.51 0.00 0.00 177.10 176.05 1xsc h ALA 28 N 8.40 0.60 -3.99 0.60 0.00 -1.94 -3.46 119.26 119.46 1xsc h ALA 28 Ca -0.18 -1.28 -0.66 0.00 0.00 0.00 0.00 54.91 52.80 1xsc h ALA 28 Cb 1.07 0.30 -0.31 0.00 0.00 0.00 0.00 17.79 18.85 1xsc h ALA 28 CO 0.38 1.44 -0.87 0.42 0.00 0.00 0.00 179.25 180.61 1xsc s ILE 29 N -2.63 1.91 -0.12 0.00 1.01 -1.26 -2.72 121.20 117.39 1xsc s ILE 29 Ca -0.04 -0.99 -0.00 0.00 0.00 0.00 0.00 60.65 59.62 1xsc s ILE 29 Cb 0.08 -1.62 0.02 0.00 0.01 0.00 0.00 42.46 40.96 1xsc s ILE 29 CO 0.82 0.53 -0.10 -1.61 0.00 0.00 0.00 174.94 174.59 1xsc s GLU 30 N -0.12 1.72 0.38 2.79 2.02 -0.91 -4.34 118.70 120.25 1xsc s GLU 30 Ca -0.04 -0.34 -0.19 0.00 0.02 0.00 0.00 54.97 54.42 1xsc s GLU 30 Cb -0.13 -1.69 -0.10 0.00 0.10 0.00 0.00 34.13 32.31 1xsc s GLU 30 CO 0.03 -0.23 0.87 -0.06 0.02 0.00 0.00 175.26 175.89 1xsc s PHE 31 N 1.56 3.36 0.00 1.61 0.08 0.34 0.60 117.98 125.53 1xsc s PHE 31 Ca 0.03 1.48 -0.22 0.00 0.12 0.00 0.00 56.93 58.34 1xsc s PHE 31 Cb -0.13 -2.74 -0.05 0.00 -0.57 0.00 0.00 43.02 39.53 1xsc s PHE 31 CO -0.08 -0.02 0.67 -1.17 -0.10 0.00 0.00 175.22 174.52 1xsc s LEU 32 N -3.04 4.41 -0.03 -0.37 2.96 -0.39 -2.07 118.68 120.16 1xsc s LEU 32 Ca 0.58 1.26 0.02 0.00 -0.22 0.00 0.00 54.13 55.77 1xsc s LEU 32 Cb -0.10 -3.05 0.01 0.00 0.50 0.00 0.00 46.19 43.55 1xsc s LEU 32 CO 0.15 0.04 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.39 1xsc s LEU 33 N 0.00 1.68 -0.28 -0.68 1.43 -0.14 -4.39 118.68 116.31 1xsc s LEU 33 Ca 0.34 -0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 53.26 1xsc s LEU 33 Cb -0.19 -0.46 0.03 0.00 0.03 0.00 0.00 46.19 45.60 1xsc s LEU 33 CO 0.19 0.03 0.00 -0.76 0.23 0.00 0.00 176.35 176.04 1xsc s LEU 34 N 0.36 3.61 0.41 1.79 1.43 -0.56 -0.51 118.68 125.21 1xsc s LEU 34 Ca -0.05 -0.95 -0.25 0.00 -1.03 0.00 0.00 54.13 51.85 1xsc s LEU 34 Cb -0.09 -1.74 -0.08 0.00 0.03 0.00 0.00 46.19 44.30 1xsc s LEU 34 CO 0.00 -0.19 1.19 -1.58 0.23 0.00 0.00 176.35 176.00 1xsc s GLN 35 N 1.35 3.98 0.26 1.70 0.74 0.49 -1.40 119.66 126.78 1xsc s GLN 35 Ca -0.01 1.87 -0.30 0.00 0.05 0.00 0.00 55.36 56.98 1xsc s GLN 35 Cb -0.18 -2.63 -0.09 0.00 1.10 0.00 0.00 33.01 31.21 1xsc s GLN 35 CO -0.01 -0.39 1.11 0.00 -0.55 0.00 0.00 175.29 175.44 1xsc s ALA 36 N -1.42 3.40 -0.10 1.58 0.00 -0.24 -2.74 121.76 122.24 1xsc s ALA 36 Ca 0.58 0.89 0.28 0.00 0.00 0.00 0.00 51.96 53.72 1xsc s ALA 36 Cb -0.31 -3.34 0.90 0.00 0.00 0.00 0.00 23.12 20.37 1xsc s ALA 36 CO 0.39 -0.18 1.81 0.66 0.00 0.00 0.00 175.76 178.44 1xsc h SER 37 N 4.11 0.00 -5.70 0.00 4.64 -1.36 -3.40 113.55 111.84 1xsc h SER 37 Ca -0.46 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.50 1xsc h SER 37 Cb 1.21 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.19 1xsc h SER 37 CO 0.68 0.04 -0.37 -1.81 -0.87 0.00 0.00 176.83 174.50 1xsc s ASP 38 N -5.96 1.17 0.85 4.97 1.01 -1.26 -4.96 116.67 112.50 1xsc s ASP 38 Ca 0.03 -1.59 0.00 0.00 0.71 0.00 0.00 52.55 51.70 1xsc s ASP 38 Cb 0.08 0.58 0.00 0.00 1.01 0.00 0.00 42.92 44.59 1xsc s ASP 38 CO 0.61 -1.14 0.00 0.61 0.21 0.00 0.00 175.17 175.46 1xsc n GLY 39 N -0.56 1.95 0.29 0.21 0.00 -1.26 -3.27 105.19 102.55 1xsc n GLY 39 Ca 0.04 -0.58 0.11 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.14 -0.61 3.06 -1.26 -4.98 119.36 112.43 1xsc n ILE 40 Ca 0.00 -0.15 -0.14 0.00 -2.50 0.00 0.00 62.75 59.95 1xsc n ILE 40 Cb 0.00 1.00 0.05 0.00 0.54 0.00 0.00 39.64 41.23 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 -0.61 -1.72 -2.37 9.51 8.25 -1.20 -4.99 115.22 122.08 1xsc n HIS 41 Ca 0.08 0.60 -0.38 0.00 -0.26 0.00 0.00 57.72 57.76 1xsc n HIS 41 Cb 0.41 -3.42 -0.03 0.00 1.12 0.00 0.00 29.99 28.07 1xsc n HIS 41 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1xsc s HIS 42 N -3.18 3.14 -0.24 4.41 -3.43 -1.26 -4.25 115.29 110.48 1xsc s HIS 42 Ca 0.35 1.59 -0.15 0.00 -0.80 0.00 0.00 55.06 56.04 1xsc s HIS 42 Cb -0.15 -3.31 -0.04 0.00 -1.43 0.00 0.00 32.58 27.65 1xsc s HIS 42 CO 0.43 -1.09 0.39 -1.58 -2.00 0.00 0.00 174.74 170.89 1xsc s TRP 43 N -1.47 3.31 -0.04 0.38 0.52 -1.25 -1.08 118.94 119.31 1xsc s TRP 43 Ca 0.57 0.51 -0.07 0.00 0.02 0.00 0.00 56.10 57.13 1xsc s TRP 43 Cb -0.28 -2.55 0.01 0.00 -1.15 0.00 0.00 33.47 29.50 1xsc s TRP 43 CO 0.35 -0.12 0.17 0.95 0.02 0.00 0.00 176.95 178.32 1xsc s THR 44 N 1.70 0.04 1.25 2.01 -4.23 -0.49 -4.06 115.64 111.85 1xsc s THR 44 Ca 0.17 -0.32 -0.15 0.00 -1.18 0.00 0.00 61.69 60.21 1xsc s THR 44 Cb -0.15 -0.35 0.32 0.00 1.34 0.00 0.00 72.50 73.65 1xsc s THR 44 CO 0.09 -0.17 0.99 -2.84 -0.54 0.00 0.00 174.62 172.15 1xsc s PRO 45 N -0.60 -1.57 -0.50 3.99 0.02 -1.26 -1.50 135.00 133.58 1xsc s PRO 45 Ca -0.07 0.69 -0.27 0.00 0.02 0.00 0.00 61.00 61.38 1xsc s PRO 45 Cb -0.04 -1.49 -0.04 0.00 0.02 0.00 0.00 34.50 32.95 1xsc s PRO 45 CO 0.01 -4.12 2.10 -2.14 -0.33 0.00 0.00 177.00 172.52 1xsc s PRO 46 N -4.52 2.53 -0.05 5.54 0.02 -1.26 -4.79 135.00 132.46 1xsc s PRO 46 Ca 0.69 1.12 -0.06 0.00 0.02 0.00 0.00 61.00 62.77 1xsc s PRO 46 Cb -0.23 -4.44 -0.04 0.00 0.02 0.00 0.00 34.50 29.80 1xsc s PRO 46 CO 0.64 -2.81 0.19 0.15 -0.33 0.00 0.00 177.00 174.84 1xsc s LYS 47 N 7.33 3.49 0.41 5.54 1.02 -1.26 -2.59 119.74 133.67 1xsc s LYS 47 Ca 0.83 -0.15 0.03 0.00 0.02 0.00 0.00 55.97 56.71 1xsc s LYS 47 Cb -0.17 -3.14 -0.03 0.00 -0.52 0.00 0.00 37.83 33.97 1xsc s LYS 47 CO 0.25 0.72 0.10 0.20 -0.92 0.00 0.00 175.35 175.70 1xsc s GLY 48 N -1.46 2.57 -0.40 -3.33 0.00 0.36 -4.83 107.32 100.23 1xsc s GLY 48 Ca 0.22 -1.28 -0.06 0.00 0.00 0.00 0.00 44.72 43.60 1xsc s GLY 48 CO 0.12 -1.87 0.20 -1.58 0.00 0.00 0.00 173.10 169.97 1xsc s HIS 49 N -3.19 3.41 -0.19 1.90 2.46 -1.26 -1.13 115.29 117.30 1xsc s HIS 49 Ca 0.24 -1.89 -0.29 0.00 0.47 0.00 0.00 55.06 53.59 1xsc s HIS 49 Cb 0.03 -2.93 0.00 0.00 -0.13 0.00 0.00 32.58 29.55 1xsc s HIS 49 CO 0.13 -0.89 1.06 0.54 -2.47 0.00 0.00 174.74 173.12 1xsc s VAL 50 N 1.30 4.64 0.47 0.89 0.11 -0.13 -4.95 120.40 122.74 1xsc s VAL 50 Ca 0.03 1.96 -0.07 0.00 -2.93 0.00 0.00 61.98 60.98 1xsc s VAL 50 Cb -0.23 -4.27 -0.05 0.00 -1.53 0.00 0.00 36.38 30.31 1xsc s VAL 50 CO -0.01 -0.13 0.80 -0.70 -3.33 0.00 0.00 175.10 171.74 1xsc s GLU 51 N 2.93 3.62 0.18 1.54 2.12 -1.26 -4.55 118.70 123.27 1xsc s GLU 51 Ca 0.47 0.32 -0.21 0.00 0.36 0.00 0.00 54.97 55.91 1xsc s GLU 51 Cb -0.17 -2.36 0.10 0.00 0.26 0.00 0.00 34.13 31.96 1xsc s GLU 51 CO 0.10 -0.18 1.60 -1.00 -0.54 0.00 0.00 175.26 175.24 1xsc h PRO 52 N 0.50 -0.18 0.00 4.30 0.13 -1.97 0.92 132.00 135.70 1xsc h PRO 52 Ca -0.47 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1xsc h PRO 52 Cb 1.20 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1xsc h PRO 52 CO 0.62 -0.12 0.00 0.41 -0.23 0.00 0.00 178.00 178.68 1xsc n GLY 53 N -1.42 -1.46 3.86 1.56 0.00 -1.26 -4.82 105.19 101.65 1xsc n GLY 53 Ca 0.03 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.13 3.85 0.60 1.61 2.12 0.32 -5.06 118.70 119.00 1xsc s GLU 54 Ca 0.09 0.78 -0.13 0.00 0.36 0.00 0.00 54.97 56.07 1xsc s GLU 54 Cb 0.12 -2.20 -0.05 0.00 0.26 0.00 0.00 34.13 32.26 1xsc s GLU 54 CO 0.48 -0.24 1.02 0.34 -0.54 0.00 0.00 175.26 176.33 1xsc s ASP 55 N -3.25 6.23 -0.01 -1.70 -1.08 -1.26 -4.62 116.67 110.98 1xsc s ASP 55 Ca 0.56 1.50 -0.16 0.00 -0.52 0.00 0.00 52.55 53.93 1xsc s ASP 55 Cb -0.10 -2.49 -0.09 0.00 -1.46 0.00 0.00 42.92 38.79 1xsc s ASP 55 CO 0.34 -0.86 0.77 0.44 0.52 0.00 0.00 175.17 176.38 1xsc h ASP 56 N 0.00 -0.48 -0.83 -0.34 3.32 -1.97 -3.02 116.42 113.10 1xsc h ASP 56 Ca -0.45 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.59 1xsc h ASP 56 Cb 1.19 0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.83 1xsc h ASP 56 CO 0.61 -0.16 0.39 0.25 -1.72 0.00 0.00 179.24 178.61 1xsc h LEU 57 N -0.92 1.10 -0.96 1.55 5.85 -1.95 -2.64 115.31 117.33 1xsc h LEU 57 Ca -0.06 -0.14 0.17 0.00 0.84 0.00 0.00 57.88 58.70 1xsc h LEU 57 Cb 0.43 -0.28 -0.10 0.00 0.37 0.00 0.00 40.66 41.08 1xsc h LEU 57 CO 0.09 0.93 0.56 -0.33 -0.34 0.00 0.00 178.44 179.36 1xsc h GLU 58 N 1.19 0.71 -0.27 1.25 5.08 -1.98 0.45 114.58 121.01 1xsc h GLU 58 Ca 0.28 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1xsc h GLU 58 Cb 0.13 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1xsc h GLU 58 CO -0.03 0.47 0.14 1.15 -1.00 0.00 0.00 179.01 179.74 1xsc h THR 59 N 0.73 1.13 -0.59 1.13 2.02 -1.33 0.53 112.91 116.54 1xsc h THR 59 Ca 0.54 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 67.34 1xsc h THR 59 Cb 0.81 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 1xsc h THR 59 CO -0.37 0.13 0.29 0.00 0.37 0.00 0.00 175.52 175.94 1xsc h ALA 60 N 1.01 0.76 0.28 6.16 0.00 -0.98 -0.10 119.26 126.39 1xsc h ALA 60 Ca 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1xsc h ALA 60 Cb 0.09 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1xsc h ALA 60 CO -0.01 0.31 -0.13 -0.07 0.00 0.00 0.00 179.25 179.35 1xsc h LEU 61 N 0.80 -0.32 -0.77 0.00 3.38 0.20 -0.96 115.31 117.64 1xsc h LEU 61 Ca 0.20 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.21 1xsc h LEU 61 Cb 0.11 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1xsc h LEU 61 CO -0.03 -0.21 0.48 -0.09 0.09 0.00 0.00 178.44 178.68 1xsc h ARG 62 N -0.39 0.89 -0.48 1.13 2.43 0.21 -1.61 114.38 116.55 1xsc h ARG 62 Ca -0.04 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 1xsc h ARG 62 Cb 0.30 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1xsc h ARG 62 CO 0.06 0.59 0.18 0.00 -1.51 0.00 0.00 179.97 179.28 1xsc h ALA 63 N 1.34 1.41 -0.51 2.80 0.00 -0.80 0.83 119.26 124.34 1xsc h ALA 63 Ca 0.32 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1xsc h ALA 63 Cb 0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1xsc h ALA 63 CO -0.13 0.45 0.16 1.15 0.00 0.00 0.00 179.25 180.87 1xsc h THR 64 N 0.69 1.23 0.00 0.00 2.02 -0.21 0.22 112.91 116.85 1xsc h THR 64 Ca 0.16 -0.77 -0.10 0.00 0.77 0.00 0.00 66.41 66.48 1xsc h THR 64 Cb 0.16 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1xsc h THR 64 CO -0.01 0.28 -0.47 0.06 0.37 0.00 0.00 175.52 175.75 1xsc h GLN 65 N 0.69 0.00 0.10 6.66 3.07 0.12 0.23 115.11 125.97 1xsc h GLN 65 Ca 0.16 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.77 1xsc h GLN 65 Cb 0.27 0.00 0.02 0.00 0.08 0.00 0.00 27.48 27.85 1xsc h GLN 65 CO -0.01 0.46 -0.59 0.93 0.09 0.00 0.00 178.83 179.72 1xsc h GLU 66 N 0.00 0.22 0.00 0.06 4.39 -0.64 -0.80 114.58 117.81 1xsc h GLU 66 Ca -0.01 -0.37 0.00 0.00 0.34 0.00 0.00 59.36 59.32 1xsc h GLU 66 Cb 1.36 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 30.15 1xsc h GLU 66 CO 0.06 1.18 -1.02 0.39 -1.16 0.00 0.00 179.01 178.46 1xsc n GLU 67 N -4.26 0.09 0.00 2.33 1.02 0.74 -4.03 120.64 116.53 1xsc n GLU 67 Ca -0.13 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 1xsc n GLU 67 Cb 0.73 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.63 1xsc n GLU 67 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xsc n ALA 68 N -1.61 0.94 -0.91 0.62 0.00 0.70 -3.40 120.51 116.85 1xsc n ALA 68 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1xsc n ALA 68 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 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 0.14 0.33 3.33 0.00 0.00 -0.30 -1.14 105.19 107.55 1xsc n GLY 69 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.84 3.51 0.52 -0.61 1.01 -0.87 -4.77 121.20 118.16 1xsc s ILE 70 Ca 0.00 -0.45 0.05 0.00 0.00 0.00 0.00 60.65 60.26 1xsc s ILE 70 Cb 0.00 -2.60 0.04 0.00 0.01 0.00 0.00 42.46 39.91 1xsc s ILE 70 CO 0.00 0.41 0.72 -1.83 0.00 0.00 0.00 174.94 174.24 1xsc s GLU 71 N 1.49 2.53 0.28 2.79 -1.05 -1.26 0.09 118.70 123.56 1xsc s GLU 71 Ca 0.06 -1.15 0.02 0.00 -0.15 0.00 0.00 54.97 53.75 1xsc s GLU 71 Cb -0.14 -2.61 0.64 0.00 -0.44 0.00 0.00 34.13 31.58 1xsc s GLU 71 CO -0.02 -0.64 1.74 0.00 0.95 0.00 0.00 175.26 177.29 1xsc h ALA 72 N 0.26 1.42 0.00 -0.84 0.00 -1.93 0.18 119.26 118.35 1xsc h ALA 72 Ca -0.39 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1xsc h ALA 72 Cb 1.29 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1xsc h ALA 72 CO 0.46 -0.16 -0.16 0.78 0.00 0.00 0.00 179.25 180.16 1xsc h GLY 73 N 0.58 0.00 -0.28 0.00 0.00 -1.99 -2.00 103.07 99.39 1xsc h GLY 73 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 1xsc h GLY 73 CO -0.42 0.00 0.00 -0.18 0.00 0.00 0.00 176.54 175.94 1xsc n GLN 74 N -3.72 1.50 -0.87 4.80 -0.06 0.62 -4.91 117.38 114.74 1xsc n GLN 74 Ca -0.02 -0.74 0.00 0.00 -2.00 0.00 0.00 57.00 54.25 1xsc n GLN 74 Cb 0.28 -1.40 0.00 0.00 -4.06 0.00 0.00 30.24 25.05 1xsc n GLN 74 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1xsc n LEU 75 N -0.07 0.00 -3.49 1.69 4.32 -0.75 -2.84 117.00 115.87 1xsc n LEU 75 Ca 0.17 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.92 1xsc n LEU 75 Cb 0.26 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 41.93 1xsc n LEU 75 CO 0.14 0.00 -0.26 -0.89 -1.22 0.00 0.00 177.39 175.15 1xsc s THR 76 N -1.39 -0.21 -0.21 -5.08 2.01 0.44 -4.79 115.64 106.40 1xsc s THR 76 Ca 0.00 -0.60 -0.29 0.00 0.31 0.00 0.00 61.69 61.11 1xsc s THR 76 Cb 0.00 -0.95 -0.01 0.00 0.01 0.00 0.00 72.50 71.55 1xsc s THR 76 CO 0.00 -0.59 1.30 -0.63 -0.69 0.00 0.00 174.62 174.01 1xsc s ILE 77 N 2.21 4.20 0.18 1.82 -1.09 -1.26 -1.34 121.20 125.93 1xsc s ILE 77 Ca 0.09 1.42 -0.30 0.00 -2.23 0.00 0.00 60.65 59.62 1xsc s ILE 77 Cb -0.15 -4.03 -0.07 0.00 -1.58 0.00 0.00 42.46 36.62 1xsc s ILE 77 CO -0.33 -0.26 0.99 -0.63 -1.23 0.00 0.00 174.94 173.48 1xsc s ILE 78 N 3.88 4.17 0.13 2.92 1.09 0.23 -4.98 121.20 128.64 1xsc s ILE 78 Ca 0.56 1.95 -0.10 0.00 -1.10 0.00 0.00 60.65 61.96 1xsc s ILE 78 Cb -0.20 -4.24 -0.06 0.00 -1.06 0.00 0.00 42.46 36.89 1xsc s ILE 78 CO 0.18 0.37 0.45 -1.61 -0.10 0.00 0.00 174.94 174.24 1xsc s GLU 79 N -0.55 3.78 0.00 2.79 2.02 -1.26 -4.27 118.70 121.21 1xsc s GLU 79 Ca 0.45 0.21 0.00 0.00 0.02 0.00 0.00 54.97 55.65 1xsc s GLU 79 Cb -0.26 -2.89 0.00 0.00 0.10 0.00 0.00 34.13 31.08 1xsc s GLU 79 CO 0.32 0.48 0.00 0.41 0.02 0.00 0.00 175.26 176.49 1xsc n GLY 80 N 0.52 2.61 3.71 -1.39 0.00 -1.26 -5.05 105.19 104.34 1xsc n GLY 80 Ca -0.05 0.00 -0.36 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 -2.63 3.40 -0.26 1.61 2.19 -1.26 -5.07 117.98 115.96 1xsc s PHE 81 Ca 0.00 0.38 -0.13 0.00 0.33 0.00 0.00 56.93 57.51 1xsc s PHE 81 Cb 0.00 -2.24 0.09 0.00 -1.31 0.00 0.00 43.02 39.56 1xsc s PHE 81 CO 0.00 0.22 0.62 0.21 1.83 0.00 0.00 175.22 178.11 1xsc s LYS 82 N 0.55 0.61 -0.18 10.12 2.20 -1.26 -4.68 119.74 127.10 1xsc s LYS 82 Ca 0.10 1.21 -0.09 0.00 -0.36 0.00 0.00 55.97 56.83 1xsc s LYS 82 Cb -0.12 0.31 0.06 0.00 -1.51 0.00 0.00 37.83 36.57 1xsc s LYS 82 CO 0.01 -0.17 0.43 0.50 -0.36 0.00 0.00 175.35 175.75 1xsc s ARG 83 N 1.98 0.41 -0.09 4.03 6.06 -1.22 -5.00 118.95 125.12 1xsc s ARG 83 Ca -0.08 0.82 0.00 0.00 -2.50 0.00 0.00 55.73 53.97 1xsc s ARG 83 Cb -0.08 -0.00 -0.03 0.00 0.06 0.00 0.00 34.95 34.90 1xsc s ARG 83 CO -0.18 -0.16 -0.07 -1.83 -2.50 0.00 0.00 175.30 170.55 1xsc s GLU 84 N 1.47 2.94 -0.26 5.12 1.03 -1.25 -0.19 118.70 127.56 1xsc s GLU 84 Ca -0.09 -0.56 -0.09 0.00 0.03 0.00 0.00 54.97 54.25 1xsc s GLU 84 Cb -0.08 -2.63 -0.04 0.00 -0.80 0.00 0.00 34.13 30.57 1xsc s GLU 84 CO -0.13 0.55 0.14 -0.51 -1.33 0.00 0.00 175.26 173.98 1xsc s LEU 85 N -0.52 3.84 -0.17 1.83 1.43 0.14 -4.81 118.68 120.42 1xsc s LEU 85 Ca 0.08 -0.04 -0.03 0.00 -1.03 0.00 0.00 54.13 53.10 1xsc s LEU 85 Cb -0.12 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 1xsc s LEU 85 CO 0.02 -0.01 -0.05 0.20 0.23 0.00 0.00 176.35 176.74 1xsc s ASN 86 N 1.49 4.59 -0.26 2.29 0.01 -1.25 -0.59 114.94 121.22 1xsc s ASN 86 Ca 0.06 -0.22 -0.26 0.00 -0.71 0.00 0.00 52.86 51.74 1xsc s ASN 86 Cb -0.15 -1.75 0.12 0.00 0.41 0.00 0.00 41.25 39.87 1xsc s ASN 86 CO 0.07 0.12 0.99 -0.72 -1.51 0.00 0.00 177.10 176.05 1xsc s TYR 87 N 0.67 -0.49 -0.41 2.20 -0.85 -1.17 -4.93 117.35 112.38 1xsc s TYR 87 Ca -0.03 1.14 -0.27 0.00 -0.52 0.00 0.00 57.07 57.40 1xsc s TYR 87 Cb -0.15 0.37 0.02 0.00 0.38 0.00 0.00 41.96 42.58 1xsc s TYR 87 CO 0.02 -0.26 1.00 0.54 -1.52 0.00 0.00 175.55 175.33 1xsc s VAL 88 N 0.02 4.46 0.00 -3.49 0.11 -1.26 0.20 120.40 120.44 1xsc s VAL 88 Ca 0.02 1.17 0.00 0.00 -2.93 0.00 0.00 61.98 60.24 1xsc s VAL 88 Cb -0.04 -4.43 0.00 0.00 -1.53 0.00 0.00 36.38 30.37 1xsc s VAL 88 CO -0.04 -0.71 0.00 0.00 -3.33 0.00 0.00 175.10 171.01 1xsc n ALA 89 N 7.14 0.00 0.02 1.54 0.00 -0.94 -4.75 120.51 123.52 1xsc n ALA 89 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.32 1xsc n ALA 89 Cb 0.48 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.79 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 0.25 0.00 0.00 0.11 -2.03 -3.44 114.38 109.26 1xsc h ARG 90 Ca 0.00 -0.43 -0.07 0.00 0.10 0.00 0.00 59.98 59.59 1xsc h ARG 90 Cb 0.00 0.16 -0.07 0.00 1.11 0.00 0.00 29.97 31.17 1xsc h ARG 90 CO 0.00 1.20 -0.14 -1.71 0.10 0.00 0.00 179.97 179.42 1xsc n ASN 91 N -4.09 -0.54 -3.63 0.08 2.85 -1.26 -5.13 115.26 103.54 1xsc n ASN 91 Ca -0.19 -1.10 -0.04 0.00 -0.11 0.00 0.00 54.58 53.15 1xsc n ASN 91 Cb 0.83 0.18 -0.06 0.00 1.24 0.00 0.00 39.78 41.97 1xsc n ASN 91 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1xsc s LYS 92 N 0.01 0.62 -0.02 1.20 2.47 -1.26 -5.10 119.74 117.66 1xsc s LYS 92 Ca 0.01 1.24 -0.30 0.00 -1.56 0.00 0.00 55.97 55.36 1xsc s LYS 92 Cb 0.03 0.40 -0.06 0.00 -1.46 0.00 0.00 37.83 36.74 1xsc s LYS 92 CO -0.01 -0.16 1.65 -1.25 0.16 0.00 0.00 175.35 175.74 1xsc s PRO 93 N 2.08 4.19 -0.26 4.03 0.04 -1.26 -2.22 135.00 141.60 1xsc s PRO 93 Ca -0.08 2.22 -0.10 0.00 0.04 0.00 0.00 61.00 63.08 1xsc s PRO 93 Cb -0.07 -3.89 -0.04 0.00 0.04 0.00 0.00 34.50 30.53 1xsc s PRO 93 CO -0.19 -0.81 0.15 0.15 0.04 0.00 0.00 177.00 176.34 1xsc s LYS 94 N 3.68 3.90 -0.50 4.56 -0.14 0.13 0.83 119.74 132.19 1xsc s LYS 94 Ca 0.74 -0.35 -0.20 0.00 -1.36 0.00 0.00 55.97 54.79 1xsc s LYS 94 Cb -0.35 -3.54 0.05 0.00 -1.68 0.00 0.00 37.83 32.31 1xsc s LYS 94 CO 0.30 -0.12 0.67 0.99 -0.76 0.00 0.00 175.35 176.44 1xsc s THR 95 N 1.54 4.80 -0.40 2.17 2.01 0.69 -3.02 115.64 123.44 1xsc s THR 95 Ca 0.07 -0.29 -0.09 0.00 0.31 0.00 0.00 61.69 61.69 1xsc s THR 95 Cb -0.15 -4.32 0.06 0.00 0.01 0.00 0.00 72.50 68.11 1xsc s THR 95 CO 0.08 -0.82 0.22 -0.69 -0.69 0.00 0.00 174.62 172.72 1xsc s VAL 96 N 2.84 4.18 -0.17 3.82 1.01 0.25 0.00 120.40 132.34 1xsc s VAL 96 Ca 0.18 -1.28 -0.23 0.00 0.00 0.00 0.00 61.98 60.65 1xsc s VAL 96 Cb -0.17 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 1xsc s VAL 96 CO 0.14 -0.41 0.71 -0.63 0.00 0.00 0.00 175.10 174.91 1xsc s ILE 97 N 1.43 4.97 0.23 2.22 -1.09 -1.08 0.23 121.20 128.12 1xsc s ILE 97 Ca 0.02 1.39 0.08 0.00 -2.23 0.00 0.00 60.65 59.91 1xsc s ILE 97 Cb -0.22 -4.03 -0.04 0.00 -1.58 0.00 0.00 42.46 36.59 1xsc s ILE 97 CO 0.03 0.10 0.09 -0.31 -1.23 0.00 0.00 174.94 173.62 1xsc s TYR 98 N 1.81 2.94 0.05 3.97 2.02 0.74 -0.58 117.35 128.29 1xsc s TYR 98 Ca 0.34 -0.13 -0.02 0.00 -0.37 0.00 0.00 57.07 56.88 1xsc s TYR 98 Cb -0.16 -1.35 -0.03 0.00 -0.40 0.00 0.00 41.96 40.02 1xsc s TYR 98 CO 0.12 0.55 0.01 -1.58 -1.57 0.00 0.00 175.55 173.09 1xsc s TRP 99 N -2.04 0.40 -0.47 2.71 0.51 -1.23 -3.42 118.94 115.40 1xsc s TRP 99 Ca 0.31 -0.86 -0.20 0.00 -2.12 0.00 0.00 56.10 53.23 1xsc s TRP 99 Cb -0.08 -0.29 0.04 0.00 -0.81 0.00 0.00 33.47 32.33 1xsc s TRP 99 CO 0.22 -0.37 0.64 -0.51 -0.51 0.00 0.00 176.95 176.41 1xsc s LEU 100 N -2.61 4.65 -0.15 2.99 1.43 -1.26 0.12 118.68 123.85 1xsc s LEU 100 Ca 0.02 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.58 1xsc s LEU 100 Cb 0.04 -2.62 0.00 0.00 0.03 0.00 0.00 46.19 43.65 1xsc s LEU 100 CO -0.08 -0.83 -0.18 0.00 0.23 0.00 0.00 176.35 175.49 1xsc s ALA 101 N 2.78 2.38 -0.33 4.21 0.00 -0.73 0.77 121.76 130.85 1xsc s ALA 101 Ca 0.20 -1.07 -0.10 0.00 0.00 0.00 0.00 51.96 51.00 1xsc s ALA 101 Cb -0.16 -1.12 0.01 0.00 0.00 0.00 0.00 23.12 21.85 1xsc s ALA 101 CO 0.16 -0.03 0.16 -2.00 0.00 0.00 0.00 175.76 174.05 1xsc s GLU 102 N 0.81 3.15 -0.01 0.00 -6.30 -0.45 0.29 118.70 116.19 1xsc s GLU 102 Ca -0.06 -0.85 -0.30 0.00 -2.50 0.00 0.00 54.97 51.26 1xsc s GLU 102 Cb -0.15 -3.59 -0.05 0.00 0.00 0.00 0.00 34.13 30.34 1xsc s GLU 102 CO -0.01 -0.50 1.31 0.14 0.02 0.00 0.00 175.26 176.22 1xsc s VAL 103 N 1.58 3.92 -0.29 3.70 -7.23 -1.25 -0.42 120.40 120.41 1xsc s VAL 103 Ca 0.03 1.29 0.27 0.00 -1.81 0.00 0.00 61.98 61.77 1xsc s VAL 103 Cb -0.18 -3.83 0.30 0.00 0.56 0.00 0.00 36.38 33.23 1xsc s VAL 103 CO 0.06 0.01 1.81 0.07 -0.31 0.00 0.00 175.10 176.73 1xsc h LYS 104 N 7.60 0.00 -5.28 4.82 -0.00 -1.83 -3.43 116.57 118.45 1xsc h LYS 104 Ca -0.37 0.00 -0.62 0.00 -0.00 0.00 0.00 60.65 59.66 1xsc h LYS 104 Cb 1.17 0.00 -0.17 0.00 -0.00 0.00 0.00 32.23 33.23 1xsc h LYS 104 CO 0.89 0.00 -0.59 0.34 -0.00 0.00 0.00 179.45 180.09 1xsc s ASP 105 N -4.75 5.42 0.12 7.07 2.15 -1.26 -4.99 116.67 120.42 1xsc s ASP 105 Ca 0.03 0.03 -0.13 0.00 0.43 0.00 0.00 52.55 52.91 1xsc s ASP 105 Cb 0.09 -1.92 -0.08 0.00 -0.30 0.00 0.00 42.92 40.72 1xsc s ASP 105 CO 0.45 0.17 1.42 0.22 -0.17 0.00 0.00 175.17 177.27 1xsc h TYR 106 N 6.70 1.01 -0.88 -5.34 5.03 -1.99 -3.03 116.97 118.48 1xsc h TYR 106 Ca -0.35 -0.33 -0.49 0.00 2.58 0.00 0.00 58.73 60.14 1xsc h TYR 106 Cb 1.17 -0.20 -0.28 0.00 1.55 0.00 0.00 36.73 38.97 1xsc h TYR 106 CO 0.55 1.13 0.53 -0.25 -1.32 0.00 0.00 178.16 178.80 1xsc n ASP 107 N -4.12 4.26 -4.63 -2.11 9.92 -1.26 -5.02 116.55 113.60 1xsc n ASP 107 Ca -0.04 -3.68 -0.43 0.00 -0.53 0.00 0.00 54.79 50.11 1xsc n ASP 107 Cb 0.55 -0.82 -0.01 0.00 -0.64 0.00 0.00 41.12 40.20 1xsc n ASP 107 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1xsc n VAL 108 N -1.09 2.06 -1.87 2.53 3.14 -1.15 -4.88 118.33 117.07 1xsc n VAL 108 Ca 0.55 -0.50 -0.41 0.00 -2.96 0.00 0.00 64.34 61.03 1xsc n VAL 108 Cb 1.37 -1.20 -0.00 0.00 -1.06 0.00 0.00 33.84 32.95 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 -1.73 4.07 -0.36 1.45 1.03 -1.26 -4.99 118.70 116.91 1xsc s GLU 109 Ca 0.58 2.46 0.04 0.00 0.03 0.00 0.00 54.97 58.08 1xsc s GLU 109 Cb -0.64 -2.92 0.10 0.00 -0.80 0.00 0.00 34.13 29.88 1xsc s GLU 109 CO 0.60 -0.52 0.08 0.42 -1.33 0.00 0.00 175.26 174.51 1xsc s ILE 110 N -1.15 2.27 -0.57 1.83 -1.09 -1.24 -4.31 121.20 116.94 1xsc s ILE 110 Ca 0.54 -2.43 -0.15 0.00 -2.23 0.00 0.00 60.65 56.38 1xsc s ILE 110 Cb -0.44 -2.67 0.14 0.00 -1.58 0.00 0.00 42.46 37.91 1xsc s ILE 110 CO 0.59 -0.63 0.52 -0.13 -1.23 0.00 0.00 174.94 174.06 1xsc s ARG 111 N 0.78 3.01 0.21 2.79 0.52 -0.29 -4.83 118.95 121.14 1xsc s ARG 111 Ca 0.12 -1.83 -0.16 0.00 -0.52 0.00 0.00 55.73 53.33 1xsc s ARG 111 Cb -0.20 -4.26 -0.08 0.00 0.52 0.00 0.00 34.95 30.93 1xsc s ARG 111 CO -0.08 -1.31 0.65 -0.51 0.02 0.00 0.00 175.30 174.08 1xsc s LEU 112 N 1.35 4.28 0.00 2.53 1.43 -1.22 -1.51 118.68 125.54 1xsc s LEU 112 Ca 0.06 1.24 -0.00 0.00 -1.03 0.00 0.00 54.13 54.39 1xsc s LEU 112 Cb -0.27 -3.57 0.04 0.00 0.03 0.00 0.00 46.19 42.42 1xsc s LEU 112 CO 0.01 0.01 0.25 -1.20 0.23 0.00 0.00 176.35 175.65 1xsc n SER 113 N 0.50 0.29 0.27 2.29 7.64 -1.25 -4.93 113.62 118.43 1xsc n SER 113 Ca -0.02 -1.26 0.10 0.00 1.01 0.00 0.00 58.87 58.70 1xsc n SER 113 Cb 0.52 -0.17 0.70 0.00 -1.01 0.00 0.00 64.21 64.25 1xsc n SER 113 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1xsc h HIS 114 N -0.52 0.00 -0.25 1.43 3.86 -1.99 -2.64 115.15 115.05 1xsc h HIS 114 Ca -0.08 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.05 1xsc h HIS 114 Cb 0.29 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 1xsc h HIS 114 CO 0.00 0.01 -0.15 0.93 0.86 0.00 0.00 177.93 179.58 1xsc h GLU 115 N 0.00 0.54 -5.07 2.45 5.08 -1.96 -3.43 114.58 112.19 1xsc h GLU 115 Ca -0.00 -0.25 -0.64 0.00 -1.00 0.00 0.00 59.36 57.47 1xsc h GLU 115 Cb 0.02 -0.01 -0.19 0.00 0.50 0.00 0.00 28.75 29.07 1xsc h GLU 115 CO 0.00 0.82 -0.59 -1.01 -1.00 0.00 0.00 179.01 177.23 1xsc s HIS 116 N -4.52 3.16 -0.13 4.33 3.76 -1.00 -1.00 115.29 119.90 1xsc s HIS 116 Ca -0.13 -0.15 0.18 0.00 -0.15 0.00 0.00 55.06 54.80 1xsc s HIS 116 Cb 0.07 -2.20 -0.22 0.00 1.11 0.00 0.00 32.58 31.35 1xsc s HIS 116 CO 0.78 -0.14 0.49 0.00 -0.85 0.00 0.00 174.74 175.03 1xsc n GLN 117 N 4.42 0.65 -4.15 1.40 10.64 -1.11 -3.92 117.38 125.32 1xsc n GLN 117 Ca -0.16 0.07 -0.11 0.00 -1.83 0.00 0.00 57.00 54.97 1xsc n GLN 117 Cb 0.52 -1.65 -0.09 0.00 -0.86 0.00 0.00 30.24 28.15 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 -2.87 0.86 0.12 2.61 0.00 -1.25 -5.04 121.76 116.19 1xsc s ALA 118 Ca -0.06 -1.49 -0.10 0.00 0.00 0.00 0.00 51.96 50.31 1xsc s ALA 118 Cb 0.09 1.15 0.00 0.00 0.00 0.00 0.00 23.12 24.36 1xsc s ALA 118 CO 0.84 -0.58 0.25 1.52 0.00 0.00 0.00 175.76 177.79 1xsc s TYR 119 N -4.10 0.18 0.03 0.00 1.13 -1.26 -0.38 117.35 112.95 1xsc s TYR 119 Ca 0.31 -0.57 -0.19 0.00 -1.41 0.00 0.00 57.07 55.21 1xsc s TYR 119 Cb 0.06 -0.01 0.04 0.00 -1.10 0.00 0.00 41.96 40.96 1xsc s TYR 119 CO 0.07 -0.63 0.44 1.03 -2.51 0.00 0.00 175.55 173.95 1xsc s ARG 120 N -3.89 0.92 -0.31 -3.49 0.52 0.33 -4.95 118.95 108.10 1xsc s ARG 120 Ca 0.09 -0.29 0.01 0.00 -0.52 0.00 0.00 55.73 55.02 1xsc s ARG 120 Cb 0.04 0.42 0.07 0.00 0.52 0.00 0.00 34.95 35.99 1xsc s ARG 120 CO -0.07 -0.31 -0.00 -1.58 0.02 0.00 0.00 175.30 173.35 1xsc s TRP 121 N -2.28 3.40 0.23 -0.53 0.52 -1.26 -0.97 118.94 118.05 1xsc s TRP 121 Ca -0.06 -2.30 0.01 0.00 0.02 0.00 0.00 56.10 53.76 1xsc s TRP 121 Cb -0.01 -2.33 -0.05 0.00 -1.15 0.00 0.00 33.47 29.93 1xsc s TRP 121 CO -0.01 -0.88 0.08 -0.51 0.02 0.00 0.00 176.95 175.66 1xsc s LEU 122 N 1.12 1.66 0.00 2.99 1.02 -0.88 -4.89 118.68 119.70 1xsc s LEU 122 Ca -0.02 -1.34 0.00 0.00 0.02 0.00 0.00 54.13 52.79 1xsc s LEU 122 Cb -0.20 0.06 0.00 0.00 0.02 0.00 0.00 46.19 46.07 1xsc s LEU 122 CO -0.04 -0.71 0.00 0.61 0.02 0.00 0.00 176.35 176.23 1xsc n GLY 123 N -0.38 -1.11 0.13 -3.19 0.00 -1.26 0.13 105.19 99.51 1xsc n GLY 123 Ca -0.01 -1.50 -0.15 0.00 0.00 0.00 0.00 46.02 44.36 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 0.41 -0.21 0.99 5.85 -1.93 -0.93 115.31 119.50 1xsc h LEU 124 Ca 0.00 -0.62 0.02 0.00 0.84 0.00 0.00 57.88 58.12 1xsc h LEU 124 Cb 0.00 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1xsc h LEU 124 CO 0.00 0.96 0.07 1.05 -0.34 0.00 0.00 178.44 180.18 1xsc h GLU 125 N -0.12 0.16 -0.09 1.25 4.11 -1.98 0.12 114.58 118.03 1xsc h GLU 125 Ca -0.01 -0.01 -0.19 0.00 0.07 0.00 0.00 59.36 59.22 1xsc h GLU 125 Cb 0.93 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.15 1xsc h GLU 125 CO 0.06 0.11 -0.67 0.93 0.07 0.00 0.00 179.01 179.51 1xsc h GLU 126 N 0.17 0.62 -0.10 1.06 3.07 -1.92 0.22 114.58 117.70 1xsc h GLU 126 Ca 0.09 -0.54 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 1xsc h GLU 126 Cb 0.06 0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 1xsc h GLU 126 CO -0.09 1.16 0.07 0.00 -1.40 0.00 0.00 179.01 178.75 1xsc h ALA 127 N 0.47 1.93 0.18 3.43 0.00 -1.06 -1.27 119.26 122.93 1xsc h ALA 127 Ca -0.06 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.54 1xsc h ALA 127 Cb 1.32 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.09 1xsc h ALA 127 CO 0.14 0.07 -1.34 0.00 0.00 0.00 0.00 179.25 178.12 1xsc h GLN 129 N 0.13 0.95 0.11 0.00 -0.00 0.14 -2.96 115.11 113.48 1xsc h GLN 129 Ca -0.19 -0.06 -0.23 0.00 -0.00 0.00 0.00 58.65 58.17 1xsc h GLN 129 Cb 2.04 -0.21 0.02 0.00 -0.00 0.00 0.00 27.48 29.33 1xsc h GLN 129 CO 0.24 0.63 -0.97 -0.07 -0.00 0.00 0.00 178.83 178.65 1xsc h LEU 130 N 0.98 0.66 -4.69 0.06 3.38 -1.40 -3.33 115.31 110.97 1xsc h LEU 130 Ca 0.28 -0.86 -0.47 0.00 0.09 0.00 0.00 57.88 56.92 1xsc h LEU 130 Cb -0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1xsc h LEU 130 CO -0.08 1.46 2.27 0.00 0.09 0.00 0.00 178.44 182.18 1xsc n ALA 131 N -2.66 6.86 -0.29 1.53 0.00 -0.72 -3.84 120.51 121.38 1xsc n ALA 131 Ca -0.13 -2.78 0.29 0.00 0.00 0.00 0.00 53.44 50.82 1xsc n ALA 131 Cb 0.87 -2.97 0.52 0.00 0.00 0.00 0.00 19.45 17.87 1xsc n ALA 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xsc n GLN 132 N 3.24 -0.05 -1.68 0.00 0.00 -1.22 -3.78 117.38 113.90 1xsc n GLN 132 Ca 0.63 1.18 -0.47 0.00 0.00 0.00 0.00 57.00 58.34 1xsc n GLN 132 Cb 0.45 -2.15 -0.04 0.00 0.00 0.00 0.00 30.24 28.50 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 -4.89 2.37 -0.18 2.61 3.01 -1.26 -4.87 117.46 114.25 1xsc n PHE 133 Ca 0.33 -0.08 -0.10 0.00 1.01 0.00 0.00 57.45 58.62 1xsc n PHE 133 Cb 1.15 -2.69 -0.05 0.00 -0.01 0.00 0.00 39.48 37.88 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 9.40 -0.27 -0.73 -1.08 3.64 -1.98 -1.35 116.57 124.21 1xsc h LYS 134 Ca -0.49 0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.08 1xsc h LYS 134 Cb 1.26 0.06 -0.12 0.00 -0.41 0.00 0.00 32.23 33.02 1xsc h LYS 134 CO 0.95 -0.18 0.05 0.93 -2.27 0.00 0.00 179.45 178.93 1xsc h GLU 135 N -0.28 0.14 -0.36 1.90 3.07 -1.90 0.67 114.58 117.82 1xsc h GLU 135 Ca 0.15 -0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.02 1xsc h GLU 135 Cb 0.57 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 1xsc h GLU 135 CO -0.65 0.09 0.21 0.52 -1.40 0.00 0.00 179.01 177.78 1xsc h MET 136 N 0.15 0.41 -0.94 2.33 2.86 -1.54 0.28 114.93 118.48 1xsc h MET 136 Ca 0.40 -0.02 0.09 0.00 -2.06 0.00 0.00 59.70 58.11 1xsc h MET 136 Cb 0.70 -0.09 -0.08 0.00 0.06 0.00 0.00 31.60 32.19 1xsc h MET 136 CO -0.60 0.27 0.58 0.87 1.06 0.00 0.00 176.91 179.09 1xsc h LYS 137 N 0.42 0.94 -0.32 1.72 6.56 -0.21 -0.71 116.57 124.98 1xsc h LYS 137 Ca 0.14 -0.06 -0.13 0.00 -1.06 0.00 0.00 60.65 59.54 1xsc h LYS 137 Cb 0.01 -0.21 -0.00 0.00 -0.57 0.00 0.00 32.23 31.45 1xsc h LYS 137 CO -0.07 0.62 -0.32 0.00 -2.06 0.00 0.00 179.45 177.63 1xsc h ALA 138 N 1.48 0.46 -0.43 3.86 0.00 -0.16 0.14 119.26 124.61 1xsc h ALA 138 Ca 0.44 -0.42 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1xsc h ALA 138 Cb 0.35 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1xsc h ALA 138 CO -0.23 0.50 0.17 0.00 0.00 0.00 0.00 179.25 179.69 1xsc h ALA 139 N 0.72 0.53 -0.03 0.00 0.00 0.44 0.46 119.26 121.38 1xsc h ALA 139 Ca 0.05 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1xsc h ALA 139 Cb 0.89 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1xsc h ALA 139 CO 0.08 -0.21 -0.59 -0.07 0.00 0.00 0.00 179.25 178.46 1xsc h LEU 140 N 0.35 0.11 0.13 0.00 3.38 -1.13 -1.76 115.31 116.40 1xsc h LEU 140 Ca 0.20 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1xsc h LEU 140 Cb 0.17 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1xsc h LEU 140 CO -0.19 0.68 -0.06 1.56 0.09 0.00 0.00 178.44 180.52 1xsc h GLN 141 N 0.08 -0.16 -0.08 1.13 1.08 0.64 -2.65 115.11 115.15 1xsc h GLN 141 Ca -0.01 0.01 -0.10 0.00 -1.45 0.00 0.00 58.65 57.11 1xsc h GLN 141 Cb 1.06 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.52 1xsc h GLN 141 CO 0.08 0.13 -0.40 0.93 -0.95 0.00 0.00 178.83 178.63 1xsc h GLU 142 N -0.46 0.17 -0.39 1.46 4.39 -0.17 -1.74 114.58 117.84 1xsc h GLU 142 Ca -0.02 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1xsc h GLU 142 Cb 0.37 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 1xsc h GLU 142 CO 0.03 0.55 0.25 0.78 -1.16 0.00 0.00 179.01 179.46 1xsc h GLY 143 N 1.21 0.55 1.49 -3.84 0.00 -1.26 0.22 103.07 101.44 1xsc h GLY 143 Ca 0.01 -0.21 -0.17 0.00 0.00 0.00 0.00 47.33 46.96 1xsc h GLY 143 CO 0.06 0.21 -0.63 0.84 0.00 0.00 0.00 176.54 177.02 1xsc h HIS 144 N 0.53 0.67 0.21 5.60 -0.00 -1.37 -2.81 115.15 117.98 1xsc h HIS 144 Ca 0.14 -0.26 -0.01 0.00 -0.00 0.00 0.00 60.37 60.24 1xsc h HIS 144 Cb -0.05 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 27.25 1xsc h HIS 144 CO -0.05 1.01 -0.10 0.37 -0.00 0.00 0.00 177.93 179.16 1xsc h GLN 145 N 0.38 -0.27 -0.05 5.26 5.75 -0.96 -1.54 115.11 123.68 1xsc h GLN 145 Ca -0.01 0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.53 1xsc h GLN 145 Cb 1.19 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.77 1xsc h GLN 145 CO 0.11 -0.01 -0.11 0.35 -2.65 0.00 0.00 178.83 176.53 1xsc h PHE 146 N -0.52 -0.27 -0.76 3.99 3.04 -0.64 -1.68 116.94 120.11 1xsc h PHE 146 Ca -0.03 0.01 0.03 0.00 3.98 0.00 0.00 57.97 61.96 1xsc h PHE 146 Cb 0.39 0.13 -0.04 0.00 2.56 0.00 0.00 35.95 38.98 1xsc h PHE 146 CO 0.00 -0.16 0.50 -0.07 -2.02 0.00 0.00 178.31 176.56 1xsc h LEU 147 N -0.16 0.82 -1.34 0.59 3.38 -1.53 0.02 115.31 117.10 1xsc h LEU 147 Ca 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1xsc h LEU 147 Cb 0.23 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1xsc h LEU 147 CO -0.14 0.57 0.00 0.00 0.09 0.00 0.00 178.44 178.96 1xsc n SER 149 N -2.98 0.51 0.00 0.00 2.88 -0.04 -4.81 113.62 109.18 1xsc n SER 149 Ca 0.01 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1xsc n SER 149 Cb 0.30 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 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 -1.78 0.00 0.11 2.46 5.41 -0.91 -5.09 119.36 119.56 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 0.00 0.38 2.13 -1.26 -5.08 120.64 116.81 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 -0.08 0.00 0.00 0.27 0.00 0.00 31.44 31.63 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 -3.35 0.51 0.11 4.31 0.00 -1.26 -5.09 120.51 115.73 1xsc n ALA 152 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1xsc n ALA 152 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1xsc n ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78