#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsc s PRO 2 N 0.00 0.37 0.18 1.61 0.04 -1.26 -4.94 135.00 131.01 1xsc s PRO 2 Ca 0.00 0.25 -0.32 0.00 0.04 0.00 0.00 61.00 60.98 1xsc s PRO 2 Cb 0.00 -1.75 -0.12 0.00 0.04 0.00 0.00 34.50 32.67 1xsc s PRO 2 CO 0.00 -2.71 1.76 -0.11 0.04 0.00 0.00 177.00 175.98 1xsc n LEU 3 N -4.12 4.01 -3.74 -3.56 0.00 -1.26 -4.96 117.00 103.38 1xsc n LEU 3 Ca 0.08 1.04 -0.28 0.00 0.00 0.00 0.00 56.01 56.84 1xsc n LEU 3 Cb 0.59 -1.57 -0.12 0.00 0.00 0.00 0.00 43.42 42.32 1xsc n LEU 3 CO 0.54 0.18 -0.17 -0.83 0.00 0.00 0.00 177.39 177.12 1xsc s GLY 4 N 1.61 2.15 0.00 -3.96 0.00 -1.26 -4.74 107.32 101.12 1xsc s GLY 4 Ca 0.77 -3.13 0.00 0.00 0.00 0.00 0.00 44.72 42.36 1xsc s GLY 4 CO 0.34 1.43 0.00 -1.14 0.00 0.00 0.00 173.10 173.73 1xsc n SER 5 N 2.71 0.00 -4.69 1.64 3.41 -1.26 -5.12 113.62 110.32 1xsc n SER 5 Ca 0.17 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.36 1xsc n SER 5 Cb 0.37 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.30 1xsc n SER 5 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1xsc s MET 6 N -0.18 4.32 0.37 4.33 0.00 -1.26 -4.80 119.30 122.08 1xsc s MET 6 Ca 0.00 1.83 0.00 0.00 0.00 0.00 0.00 55.69 57.52 1xsc s MET 6 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 34.83 31.27 1xsc s MET 6 CO 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 175.02 174.51 1xsc n ALA 7 N 5.25 -3.27 -2.64 4.11 0.00 -1.26 -4.86 120.51 117.84 1xsc n ALA 7 Ca 0.12 0.52 -0.34 0.00 0.00 0.00 0.00 53.44 53.74 1xsc n ALA 7 Cb 0.45 -1.20 -0.11 0.00 0.00 0.00 0.00 19.45 18.59 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 -6.76 3.30 -0.13 0.00 1.02 0.23 -4.96 118.68 111.39 1xsc s LEU 8 Ca 0.00 0.03 -0.27 0.00 0.02 0.00 0.00 54.13 53.91 1xsc s LEU 8 Cb 0.00 -1.74 -0.02 0.00 0.02 0.00 0.00 46.19 44.46 1xsc s LEU 8 CO 0.00 0.36 0.89 -0.13 0.02 0.00 0.00 176.35 177.49 1xsc s ARG 9 N -0.77 4.36 0.16 1.70 0.52 -1.26 -0.41 118.95 123.26 1xsc s ARG 9 Ca 0.12 1.16 0.00 0.00 -0.52 0.00 0.00 55.73 56.49 1xsc s ARG 9 Cb -0.11 -3.55 -0.04 0.00 0.52 0.00 0.00 34.95 31.77 1xsc s ARG 9 CO 0.02 -0.28 0.05 0.00 0.02 0.00 0.00 175.30 175.10 1xsc s ALA 10 N 1.95 1.15 -0.29 2.13 0.00 0.27 -0.55 121.76 126.42 1xsc s ALA 10 Ca 0.42 -1.58 -0.12 0.00 0.00 0.00 0.00 51.96 50.68 1xsc s ALA 10 Cb -0.17 0.82 0.11 0.00 0.00 0.00 0.00 23.12 23.88 1xsc s ALA 10 CO 0.15 -0.44 0.68 0.00 0.00 0.00 0.00 175.76 176.16 1xsc s GLY 12 N 2.39 2.50 -0.16 0.00 0.00 -0.08 -1.03 107.32 110.95 1xsc s GLY 12 Ca -0.07 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 42.87 1xsc s GLY 12 CO -0.19 -2.01 -0.11 -2.27 0.00 0.00 0.00 173.10 168.51 1xsc s LEU 13 N -3.89 1.80 -0.93 0.66 0.20 -1.00 -2.99 118.68 112.53 1xsc s LEU 13 Ca 0.33 -0.60 -0.22 0.00 0.69 0.00 0.00 54.13 54.32 1xsc s LEU 13 Cb 0.04 -1.13 0.08 0.00 -0.43 0.00 0.00 46.19 44.75 1xsc s LEU 13 CO 0.18 -0.10 1.28 -0.63 -0.29 0.00 0.00 176.35 176.79 1xsc s ILE 14 N 1.50 4.19 0.31 6.68 1.01 0.42 -4.26 121.20 131.05 1xsc s ILE 14 Ca 0.03 -0.85 -0.22 0.00 0.00 0.00 0.00 60.65 59.61 1xsc s ILE 14 Cb -0.14 -4.92 -0.09 0.00 0.01 0.00 0.00 42.46 37.31 1xsc s ILE 14 CO -0.09 -1.75 0.85 -0.63 0.00 0.00 0.00 174.94 173.32 1xsc s ILE 15 N 4.26 4.41 -0.20 2.92 1.01 -1.26 -0.47 121.20 131.88 1xsc s ILE 15 Ca 0.38 1.49 -0.07 0.00 0.00 0.00 0.00 60.65 62.45 1xsc s ILE 15 Cb -0.04 -3.84 0.09 0.00 0.01 0.00 0.00 42.46 38.68 1xsc s ILE 15 CO -0.05 0.04 0.42 0.72 0.00 0.00 0.00 174.94 176.07 1xsc s PHE 16 N -1.74 -0.78 -0.36 3.97 -0.71 0.75 -0.89 117.98 118.22 1xsc s PHE 16 Ca 0.51 1.51 -0.27 0.00 -1.04 0.00 0.00 56.93 57.63 1xsc s PHE 16 Cb -0.15 0.31 0.02 0.00 -1.21 0.00 0.00 43.02 41.98 1xsc s PHE 16 CO 0.20 -0.47 1.00 -0.98 -1.34 0.00 0.00 175.22 173.64 1xsc s ARG 17 N 2.45 3.91 -0.24 1.99 1.70 0.18 -3.72 118.95 125.23 1xsc s ARG 17 Ca -0.03 0.76 -0.12 0.00 -0.47 0.00 0.00 55.73 55.87 1xsc s ARG 17 Cb -0.11 -3.79 -0.05 0.00 -0.57 0.00 0.00 34.95 30.43 1xsc s ARG 17 CO -0.13 -0.97 0.25 0.50 -1.08 0.00 0.00 175.30 173.86 1xsc s ARG 18 N 3.64 4.08 0.81 3.89 3.52 -1.26 -2.83 118.95 130.80 1xsc s ARG 18 Ca 0.42 -0.12 -0.10 0.00 -0.13 0.00 0.00 55.73 55.79 1xsc s ARG 18 Cb -0.11 -3.56 0.08 0.00 -1.56 0.00 0.00 34.95 29.79 1xsc s ARG 18 CO 0.19 -0.02 1.10 0.00 -0.81 0.00 0.00 175.30 175.76 1xsc h LEU 20 N -1.33 -0.95 -7.68 0.00 3.38 -1.98 -3.44 115.31 103.31 1xsc h LEU 20 Ca -0.44 0.16 -0.14 0.00 0.09 0.00 0.00 57.88 57.56 1xsc h LEU 20 Cb 1.24 0.43 -0.20 0.00 0.09 0.00 0.00 40.66 42.22 1xsc h LEU 20 CO 0.49 -0.32 -0.42 0.27 0.09 0.00 0.00 178.44 178.55 1xsc s ILE 21 N -6.03 0.08 0.76 1.22 -5.25 -1.26 -5.15 121.20 105.57 1xsc s ILE 21 Ca -0.15 -0.64 -0.12 0.00 -0.99 0.00 0.00 60.65 58.75 1xsc s ILE 21 Cb 0.12 -0.50 0.05 0.00 2.95 0.00 0.00 42.46 45.08 1xsc s ILE 21 CO 0.67 -0.35 1.12 -2.84 -1.79 0.00 0.00 174.94 171.75 1xsc s PRO 22 N -1.41 2.17 0.00 0.37 0.02 -1.26 -5.01 135.00 129.87 1xsc s PRO 22 Ca -0.14 1.38 0.00 0.00 0.02 0.00 0.00 61.00 62.26 1xsc s PRO 22 Cb -0.07 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.58 1xsc s PRO 22 CO 0.02 -1.74 0.00 1.17 -0.33 0.00 0.00 177.00 176.12 1xsc n LYS 23 N -3.23 0.00 0.01 5.54 3.00 -1.26 -4.91 118.16 117.30 1xsc n LYS 23 Ca 0.11 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.53 1xsc n LYS 23 Cb 0.52 0.00 0.19 0.00 0.00 0.00 0.00 35.03 35.74 1xsc n LYS 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1xsc n VAL 24 N -1.00 0.04 -0.96 3.15 0.31 -1.26 -4.94 118.33 113.68 1xsc n VAL 24 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1xsc n VAL 24 Cb 0.00 0.29 0.00 0.00 -0.91 0.00 0.00 33.84 33.22 1xsc n VAL 24 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1xsc n ASP 25 N -1.59 -3.41 0.00 4.52 4.64 -1.26 -4.91 116.55 114.54 1xsc n ASP 25 Ca 0.05 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.46 1xsc n ASP 25 Cb 0.35 -1.63 0.00 0.00 -1.04 0.00 0.00 41.12 38.80 1xsc n ASP 25 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 1xsc n ASN 26 N -0.34 0.00 -4.18 1.67 2.85 -1.26 -4.78 115.26 109.22 1xsc n ASN 26 Ca 0.00 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.07 1xsc n ASN 26 Cb 0.17 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.10 1xsc n ASN 26 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1xsc s ASN 27 N -1.00 5.62 -0.17 1.20 4.22 -1.26 -4.87 114.94 118.68 1xsc s ASN 27 Ca 0.00 -2.21 -0.05 0.00 -2.14 0.00 0.00 52.86 48.46 1xsc s ASN 27 Cb 0.00 -1.96 -0.08 0.00 1.28 0.00 0.00 41.25 40.48 1xsc s ASN 27 CO 0.00 -0.59 -0.20 0.00 -2.04 0.00 0.00 177.10 174.28 1xsc n ALA 28 N 4.46 1.81 -2.68 3.54 0.00 -1.26 -5.01 120.51 121.36 1xsc n ALA 28 Ca -0.01 -0.69 -0.33 0.00 0.00 0.00 0.00 53.44 52.41 1xsc n ALA 28 Cb 0.41 0.23 -0.09 0.00 0.00 0.00 0.00 19.45 19.99 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 -2.32 4.19 -0.06 0.00 1.01 -1.26 -3.67 121.20 119.08 1xsc s ILE 29 Ca -0.23 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 59.89 1xsc s ILE 29 Cb 0.08 -2.85 0.02 0.00 0.01 0.00 0.00 42.46 39.72 1xsc s ILE 29 CO 0.33 0.42 -0.06 -0.70 0.00 0.00 0.00 174.94 174.93 1xsc s GLU 30 N -1.44 1.06 0.28 2.79 2.12 -1.13 -4.36 118.70 118.03 1xsc s GLU 30 Ca 0.18 -0.15 -0.10 0.00 0.36 0.00 0.00 54.97 55.27 1xsc s GLU 30 Cb -0.11 -1.07 -0.07 0.00 0.26 0.00 0.00 34.13 33.13 1xsc s GLU 30 CO 0.09 -0.12 0.61 -0.06 -0.54 0.00 0.00 175.26 175.24 1xsc s PHE 31 N 1.14 3.43 0.01 5.30 0.08 0.21 0.49 117.98 128.64 1xsc s PHE 31 Ca -0.07 0.90 -0.23 0.00 0.12 0.00 0.00 56.93 57.65 1xsc s PHE 31 Cb -0.14 -2.29 -0.05 0.00 -0.57 0.00 0.00 43.02 39.96 1xsc s PHE 31 CO -0.01 0.17 0.69 -1.17 -0.10 0.00 0.00 175.22 174.79 1xsc s LEU 32 N -3.15 4.41 0.02 -0.37 2.96 -0.07 -2.26 118.68 120.23 1xsc s LEU 32 Ca 0.48 1.29 0.02 0.00 -0.22 0.00 0.00 54.13 55.70 1xsc s LEU 32 Cb -0.11 -3.08 -0.01 0.00 0.50 0.00 0.00 46.19 43.49 1xsc s LEU 32 CO 0.24 0.03 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.47 1xsc s LEU 33 N 0.03 2.12 -0.21 -0.68 1.43 0.54 -4.22 118.68 117.68 1xsc s LEU 33 Ca 0.35 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 1xsc s LEU 33 Cb -0.19 -0.27 0.05 0.00 0.03 0.00 0.00 46.19 45.80 1xsc s LEU 33 CO 0.20 -0.04 -0.10 -0.76 0.23 0.00 0.00 176.35 175.88 1xsc s LEU 34 N -0.78 2.53 0.29 1.79 1.43 -0.69 0.12 118.68 123.37 1xsc s LEU 34 Ca -0.02 -1.02 -0.29 0.00 -1.03 0.00 0.00 54.13 51.77 1xsc s LEU 34 Cb -0.06 -1.29 -0.10 0.00 0.03 0.00 0.00 46.19 44.78 1xsc s LEU 34 CO 0.00 -0.16 1.10 -1.58 0.23 0.00 0.00 176.35 175.94 1xsc s GLN 35 N 1.34 4.59 0.80 1.70 0.74 0.34 -1.73 119.66 127.44 1xsc s GLN 35 Ca -0.03 1.80 -0.13 0.00 0.05 0.00 0.00 55.36 57.05 1xsc s GLN 35 Cb -0.17 -3.13 0.08 0.00 1.10 0.00 0.00 33.01 30.88 1xsc s GLN 35 CO -0.07 0.17 1.17 0.00 -0.55 0.00 0.00 175.29 176.00 1xsc s ALA 36 N -1.20 1.92 -2.11 1.58 0.00 -0.61 -2.72 121.76 118.62 1xsc s ALA 36 Ca 0.46 0.68 0.26 0.00 0.00 0.00 0.00 51.96 53.35 1xsc s ALA 36 Cb -0.31 -3.43 1.36 0.00 0.00 0.00 0.00 23.12 20.74 1xsc s ALA 36 CO 0.40 -2.16 1.90 -1.13 0.00 0.00 0.00 175.76 174.77 1xsc n SER 37 N -3.36 0.45 0.00 0.00 3.41 -0.84 -4.42 113.62 108.85 1xsc n SER 37 Ca 0.12 -1.31 0.00 0.00 -0.26 0.00 0.00 58.87 57.43 1xsc n SER 37 Cb 0.51 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1xsc n SER 37 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1xsc n ASP 38 N -0.58 0.00 0.00 4.04 -0.08 -1.26 -4.96 116.55 113.72 1xsc n ASP 38 Ca 0.19 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.47 1xsc n ASP 38 Cb 0.16 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.62 1xsc n ASP 38 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xsc n GLY 39 N 0.00 2.76 0.66 0.27 0.00 -1.26 -2.39 105.19 105.23 1xsc n GLY 39 Ca 0.00 -0.29 0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 0.04 -2.72 -0.61 3.06 -1.26 -4.93 119.36 112.93 1xsc n ILE 40 Ca 0.00 -0.35 -0.21 0.00 -2.50 0.00 0.00 62.75 59.69 1xsc n ILE 40 Cb 0.00 0.82 0.01 0.00 0.54 0.00 0.00 39.64 41.01 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 0.60 -1.50 -2.12 9.51 8.25 -1.00 -4.93 115.22 124.03 1xsc n HIS 41 Ca 0.17 0.25 -0.40 0.00 -0.26 0.00 0.00 57.72 57.49 1xsc n HIS 41 Cb 0.44 -4.06 -0.01 0.00 1.12 0.00 0.00 29.99 27.47 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 -3.06 2.94 -0.08 4.41 -3.43 -1.26 -4.35 115.29 110.45 1xsc s HIS 42 Ca 0.15 1.44 -0.08 0.00 -0.80 0.00 0.00 55.06 55.78 1xsc s HIS 42 Cb -0.07 -3.62 -0.04 0.00 -1.43 0.00 0.00 32.58 27.42 1xsc s HIS 42 CO 0.19 -1.87 0.20 -1.58 -2.00 0.00 0.00 174.74 169.68 1xsc s TRP 43 N -1.25 3.62 -0.23 0.38 0.52 -1.23 -1.57 118.94 119.17 1xsc s TRP 43 Ca 0.54 0.60 -0.26 0.00 0.02 0.00 0.00 56.10 57.00 1xsc s TRP 43 Cb -0.37 -1.99 0.09 0.00 -1.15 0.00 0.00 33.47 30.05 1xsc s TRP 43 CO 0.48 0.71 0.83 0.95 0.02 0.00 0.00 176.95 179.94 1xsc s THR 44 N -1.08 0.00 1.33 2.01 -4.23 -0.71 -4.07 115.64 108.90 1xsc s THR 44 Ca 0.18 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.50 1xsc s THR 44 Cb -0.13 -1.00 0.32 0.00 1.34 0.00 0.00 72.50 73.03 1xsc s THR 44 CO 0.07 0.00 0.81 -2.65 -0.54 0.00 0.00 174.62 172.32 1xsc n PRO 45 N 2.07 -3.75 -2.23 3.99 -0.02 -1.26 -1.71 135.00 132.09 1xsc n PRO 45 Ca -0.14 -1.10 -0.40 0.00 -2.02 0.00 0.00 63.50 59.84 1xsc n PRO 45 Cb 0.56 -1.94 -0.03 0.00 -0.02 0.00 0.00 33.50 32.07 1xsc n PRO 45 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1xsc s PRO 46 N -4.60 2.99 0.22 0.52 0.02 -1.26 -4.79 135.00 128.10 1xsc s PRO 46 Ca 0.64 0.49 0.08 0.00 0.02 0.00 0.00 61.00 62.23 1xsc s PRO 46 Cb -0.16 -4.26 -0.04 0.00 0.02 0.00 0.00 34.50 30.06 1xsc s PRO 46 CO 0.58 -2.32 0.04 -1.59 -0.33 0.00 0.00 177.00 173.38 1xsc s LYS 47 N 6.24 2.49 0.27 5.54 -2.85 -1.26 -2.38 119.74 127.80 1xsc s LYS 47 Ca 0.58 -1.19 -0.08 0.00 -1.00 0.00 0.00 55.97 54.29 1xsc s LYS 47 Cb -0.12 -2.34 -0.01 0.00 -2.06 0.00 0.00 37.83 33.30 1xsc s LYS 47 CO 0.22 0.41 0.43 0.20 0.10 0.00 0.00 175.35 176.71 1xsc s GLY 48 N -3.39 1.00 -0.41 0.59 0.00 -0.20 -4.84 107.32 100.08 1xsc s GLY 48 Ca 0.30 -1.22 -0.15 0.00 0.00 0.00 0.00 44.72 43.65 1xsc s GLY 48 CO 0.21 -0.87 0.32 -1.58 0.00 0.00 0.00 173.10 171.18 1xsc s HIS 49 N -3.68 3.22 0.14 1.90 2.46 -1.26 0.77 115.29 118.84 1xsc s HIS 49 Ca 0.28 -0.51 -0.30 0.00 0.47 0.00 0.00 55.06 55.00 1xsc s HIS 49 Cb 0.01 -2.64 -0.07 0.00 -0.13 0.00 0.00 32.58 29.75 1xsc s HIS 49 CO 0.13 -0.59 1.06 0.54 -2.47 0.00 0.00 174.74 173.42 1xsc s VAL 50 N 1.78 4.12 0.25 0.89 0.11 0.29 -4.89 120.40 122.94 1xsc s VAL 50 Ca 0.07 1.75 -0.09 0.00 -2.93 0.00 0.00 61.98 60.78 1xsc s VAL 50 Cb -0.18 -4.12 -0.07 0.00 -1.53 0.00 0.00 36.38 30.48 1xsc s VAL 50 CO 0.11 0.27 0.57 -0.70 -3.33 0.00 0.00 175.10 172.01 1xsc s GLU 51 N -0.05 3.78 0.64 1.54 2.12 -1.26 -4.43 118.70 121.04 1xsc s GLU 51 Ca 0.50 0.26 0.30 0.00 0.36 0.00 0.00 54.97 56.38 1xsc s GLU 51 Cb -0.27 -2.62 1.61 0.00 0.26 0.00 0.00 34.13 33.11 1xsc s GLU 51 CO 0.32 0.28 1.94 -1.00 -0.54 0.00 0.00 175.26 176.26 1xsc h PRO 52 N 2.33 0.00 -0.00 4.30 0.13 -1.97 0.32 132.00 137.11 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 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1xsc h PRO 52 CO 0.68 0.00 -0.90 0.41 -0.23 0.00 0.00 178.00 177.97 1xsc n GLY 53 N -1.30 -0.80 3.96 1.56 0.00 -1.26 -4.98 105.19 102.38 1xsc n GLY 53 Ca 0.01 -0.55 -0.24 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.81 2.21 0.49 1.61 2.12 0.11 -5.09 118.70 117.34 1xsc s GLU 54 Ca 0.08 -0.62 -0.05 0.00 0.36 0.00 0.00 54.97 54.74 1xsc s GLU 54 Cb 0.15 -2.32 -0.03 0.00 0.26 0.00 0.00 34.13 32.19 1xsc s GLU 54 CO 0.79 -1.09 0.78 0.34 -0.54 0.00 0.00 175.26 175.54 1xsc s ASP 55 N -4.53 6.14 -0.03 -1.70 2.15 -1.26 -4.73 116.67 112.70 1xsc s ASP 55 Ca 0.60 0.83 -0.17 0.00 0.43 0.00 0.00 52.55 54.25 1xsc s ASP 55 Cb -0.09 -2.11 -0.10 0.00 -0.30 0.00 0.00 42.92 40.31 1xsc s ASP 55 CO 0.42 -0.65 0.72 0.44 -0.17 0.00 0.00 175.17 175.93 1xsc h ASP 56 N 0.20 -0.44 -0.50 -0.34 3.32 -1.99 -3.04 116.42 113.63 1xsc h ASP 56 Ca -0.47 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 56.46 1xsc h ASP 56 Cb 1.22 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.86 1xsc h ASP 56 CO 0.61 0.00 0.02 0.25 -1.72 0.00 0.00 179.24 178.40 1xsc h LEU 57 N -1.10 0.84 -0.88 1.55 5.85 -1.96 -2.94 115.31 116.68 1xsc h LEU 57 Ca -0.05 -0.30 0.19 0.00 0.84 0.00 0.00 57.88 58.56 1xsc h LEU 57 Cb 0.46 -0.23 -0.11 0.00 0.37 0.00 0.00 40.66 41.15 1xsc h LEU 57 CO 0.09 0.93 0.42 -0.33 -0.34 0.00 0.00 178.44 179.21 1xsc h GLU 58 N 0.73 0.49 -0.58 1.25 5.08 -1.98 1.18 114.58 120.75 1xsc h GLU 58 Ca 0.14 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1xsc h GLU 58 Cb 0.49 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1xsc h GLU 58 CO 0.02 0.32 0.37 1.15 -1.00 0.00 0.00 179.01 179.87 1xsc h THR 59 N 0.50 1.16 -0.01 1.13 2.02 -1.40 1.07 112.91 117.39 1xsc h THR 59 Ca 0.52 -0.33 -0.11 0.00 0.77 0.00 0.00 66.41 67.26 1xsc h THR 59 Cb 0.89 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1xsc h THR 59 CO -0.45 0.16 -0.51 0.00 0.37 0.00 0.00 175.52 175.09 1xsc h ALA 60 N 1.19 1.14 0.08 6.16 0.00 -0.39 -0.90 119.26 126.55 1xsc h ALA 60 Ca 0.21 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1xsc h ALA 60 Cb -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1xsc h ALA 60 CO -0.04 0.64 -0.04 -0.07 0.00 0.00 0.00 179.25 179.74 1xsc h LEU 61 N 0.03 -0.09 -0.74 0.00 3.38 0.24 -2.50 115.31 115.61 1xsc h LEU 61 Ca -0.00 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 1xsc h LEU 61 Cb 0.90 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 1xsc h LEU 61 CO 0.07 0.47 0.46 -0.09 0.09 0.00 0.00 178.44 179.44 1xsc h ARG 62 N -0.70 1.00 -0.39 1.13 2.43 0.12 -1.23 114.38 116.73 1xsc h ARG 62 Ca -0.01 -0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1xsc h ARG 62 Cb 0.56 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1xsc h ARG 62 CO 0.02 0.69 0.26 0.00 -1.51 0.00 0.00 179.97 179.43 1xsc h ALA 63 N 1.25 1.78 0.31 2.80 0.00 -1.21 0.26 119.26 124.44 1xsc h ALA 63 Ca 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1xsc h ALA 63 Cb -0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1xsc h ALA 63 CO -0.05 0.19 -0.19 1.15 0.00 0.00 0.00 179.25 180.35 1xsc h THR 64 N 0.48 0.61 0.00 0.00 2.02 -0.76 0.41 112.91 115.67 1xsc h THR 64 Ca 0.15 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.32 1xsc h THR 64 Cb 0.02 0.61 -0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1xsc h THR 64 CO -0.03 0.00 -0.06 0.06 0.37 0.00 0.00 175.52 175.86 1xsc h GLN 65 N -0.48 0.00 0.13 6.66 3.07 0.03 0.89 115.11 125.41 1xsc h GLN 65 Ca -0.03 0.00 -0.30 0.00 0.09 0.00 0.00 58.65 58.41 1xsc h GLN 65 Cb 0.39 0.00 0.03 0.00 0.08 0.00 0.00 27.48 27.98 1xsc h GLN 65 CO 0.04 0.06 -1.24 0.93 0.09 0.00 0.00 178.83 178.71 1xsc h GLU 66 N 0.00 0.61 -0.30 0.06 4.39 0.12 0.19 114.58 119.65 1xsc h GLU 66 Ca -0.00 -0.83 0.00 0.00 0.34 0.00 0.00 59.36 58.87 1xsc h GLU 66 Cb 0.68 0.28 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1xsc h GLU 66 CO 0.01 1.38 0.00 0.39 -1.16 0.00 0.00 179.01 179.63 1xsc n GLU 67 N -3.81 2.88 0.00 2.33 -0.58 0.14 -3.74 120.64 117.86 1xsc n GLU 67 Ca -0.14 -2.25 0.00 0.00 -0.42 0.00 0.00 57.16 54.35 1xsc n GLU 67 Cb 0.98 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 30.44 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 0.17 0.00 -0.83 0.62 0.00 0.30 -4.10 120.51 116.67 1xsc n ALA 68 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1xsc n ALA 68 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1xsc n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xsc n GLY 69 N 0.00 0.49 3.59 0.00 0.00 0.68 -0.51 105.19 109.43 1xsc n GLY 69 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1xsc n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xsc s ILE 70 N -2.39 4.49 0.45 -0.61 1.01 -1.22 -4.73 121.20 118.20 1xsc s ILE 70 Ca 0.00 -0.14 0.07 0.00 0.00 0.00 0.00 60.65 60.58 1xsc s ILE 70 Cb 0.00 -3.01 -0.02 0.00 0.01 0.00 0.00 42.46 39.44 1xsc s ILE 70 CO 0.00 0.47 0.31 -1.83 0.00 0.00 0.00 174.94 173.89 1xsc s GLU 71 N 0.40 2.35 0.40 2.79 1.03 -1.26 -0.17 118.70 124.23 1xsc s GLU 71 Ca 0.01 -1.78 0.18 0.00 0.03 0.00 0.00 54.97 53.41 1xsc s GLU 71 Cb -0.13 -2.16 1.10 0.00 -0.80 0.00 0.00 34.13 32.14 1xsc s GLU 71 CO 0.01 -0.28 1.78 0.00 -1.33 0.00 0.00 175.26 175.44 1xsc h ALA 72 N 1.09 2.23 0.00 -0.84 0.00 -1.88 1.07 119.26 120.93 1xsc h ALA 72 Ca -0.41 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1xsc h ALA 72 Cb 1.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1xsc h ALA 72 CO 0.62 -0.62 0.00 0.78 0.00 0.00 0.00 179.25 180.02 1xsc h GLY 73 N 0.40 0.00 -0.92 0.00 0.00 -1.99 -2.29 103.07 98.26 1xsc h GLY 73 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.91 1xsc h GLY 73 CO -0.28 0.00 -0.48 -1.06 0.00 0.00 0.00 176.54 174.71 1xsc n GLN 74 N -2.92 1.23 -2.04 4.80 6.02 0.36 -4.98 117.38 119.85 1xsc n GLN 74 Ca 0.00 -0.93 -0.00 0.00 -0.01 0.00 0.00 57.00 56.06 1xsc n GLN 74 Cb 0.26 -1.45 -0.00 0.00 1.02 0.00 0.00 30.24 30.06 1xsc n GLN 74 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 1xsc n LEU 75 N -0.10 0.00 -3.70 1.08 -0.00 -0.55 -1.55 117.00 112.18 1xsc n LEU 75 Ca 0.09 -0.05 -0.30 0.00 -0.00 0.00 0.00 56.01 55.75 1xsc n LEU 75 Cb 0.45 0.02 -0.15 0.00 -0.00 0.00 0.00 43.42 43.74 1xsc n LEU 75 CO 0.28 -0.01 -0.33 -0.89 -0.00 0.00 0.00 177.39 176.44 1xsc s THR 76 N -1.66 0.69 -0.08 1.47 2.01 0.18 -4.76 115.64 113.48 1xsc s THR 76 Ca 0.00 -1.25 -0.30 0.00 0.31 0.00 0.00 61.69 60.46 1xsc s THR 76 Cb 0.00 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 1xsc s THR 76 CO 0.00 -0.67 1.27 -0.63 -0.69 0.00 0.00 174.62 173.90 1xsc s ILE 77 N 1.72 4.16 0.16 1.82 -1.09 -1.25 -1.46 121.20 125.25 1xsc s ILE 77 Ca 0.09 1.47 -0.26 0.00 -2.23 0.00 0.00 60.65 59.72 1xsc s ILE 77 Cb -0.17 -3.95 -0.08 0.00 -1.58 0.00 0.00 42.46 36.69 1xsc s ILE 77 CO -0.27 -0.05 0.81 -0.63 -1.23 0.00 0.00 174.94 173.57 1xsc s ILE 78 N 2.71 4.37 0.01 2.92 1.09 0.28 -4.97 121.20 127.61 1xsc s ILE 78 Ca 0.57 1.78 -0.06 0.00 -1.10 0.00 0.00 60.65 61.84 1xsc s ILE 78 Cb -0.25 -4.18 -0.05 0.00 -1.06 0.00 0.00 42.46 36.93 1xsc s ILE 78 CO 0.20 0.49 0.26 -1.61 -0.10 0.00 0.00 174.94 174.18 1xsc s GLU 79 N -0.96 3.56 0.00 2.79 2.02 -1.26 -4.34 118.70 120.50 1xsc s GLU 79 Ca 0.37 -0.12 0.00 0.00 0.02 0.00 0.00 54.97 55.25 1xsc s GLU 79 Cb -0.23 -3.07 0.00 0.00 0.10 0.00 0.00 34.13 30.92 1xsc s GLU 79 CO 0.27 0.65 0.00 0.41 0.02 0.00 0.00 175.26 176.61 1xsc n GLY 80 N 1.06 2.96 3.62 -1.39 0.00 -1.26 -5.05 105.19 105.13 1xsc n GLY 80 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1xsc n GLY 80 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xsc s PHE 81 N -2.72 3.25 -0.25 1.61 2.19 -1.26 -5.08 117.98 115.72 1xsc s PHE 81 Ca 0.00 0.05 -0.15 0.00 0.33 0.00 0.00 56.93 57.16 1xsc s PHE 81 Cb 0.00 -2.11 0.07 0.00 -1.31 0.00 0.00 43.02 39.67 1xsc s PHE 81 CO 0.00 0.10 0.63 0.21 1.83 0.00 0.00 175.22 177.99 1xsc s LYS 82 N 0.55 0.65 -0.17 10.12 2.20 -1.26 -4.69 119.74 127.14 1xsc s LYS 82 Ca 0.04 1.10 -0.14 0.00 -0.36 0.00 0.00 55.97 56.62 1xsc s LYS 82 Cb -0.13 0.13 0.05 0.00 -1.51 0.00 0.00 37.83 36.37 1xsc s LYS 82 CO 0.01 -0.15 0.43 0.50 -0.36 0.00 0.00 175.35 175.78 1xsc s ARG 83 N 1.46 0.48 -0.07 4.03 6.06 -1.23 -5.00 118.95 124.68 1xsc s ARG 83 Ca -0.09 0.66 0.05 0.00 -2.50 0.00 0.00 55.73 53.85 1xsc s ARG 83 Cb -0.06 0.17 -0.01 0.00 0.06 0.00 0.00 34.95 35.12 1xsc s ARG 83 CO -0.16 -0.09 -0.24 -1.83 -2.50 0.00 0.00 175.30 170.48 1xsc s GLU 84 N 0.55 2.60 -0.26 5.12 1.03 -1.24 0.90 118.70 127.40 1xsc s GLU 84 Ca -0.03 -0.87 -0.14 0.00 0.03 0.00 0.00 54.97 53.96 1xsc s GLU 84 Cb -0.04 -2.14 -0.04 0.00 -0.80 0.00 0.00 34.13 31.11 1xsc s GLU 84 CO -0.03 0.32 0.34 -0.51 -1.33 0.00 0.00 175.26 174.05 1xsc s LEU 85 N -0.03 4.06 -0.19 1.83 1.43 0.19 -4.74 118.68 121.23 1xsc s LEU 85 Ca -0.07 0.28 -0.03 0.00 -1.03 0.00 0.00 54.13 53.27 1xsc s LEU 85 Cb -0.15 -2.38 -0.01 0.00 0.03 0.00 0.00 46.19 43.68 1xsc s LEU 85 CO 0.05 -0.13 -0.06 0.20 0.23 0.00 0.00 176.35 176.64 1xsc s ASN 86 N 1.52 4.35 -0.26 2.29 0.02 -1.25 -0.49 114.94 121.12 1xsc s ASN 86 Ca 0.14 -0.33 -0.26 0.00 -1.02 0.00 0.00 52.86 51.40 1xsc s ASN 86 Cb -0.15 -1.73 0.12 0.00 0.02 0.00 0.00 41.25 39.50 1xsc s ASN 86 CO 0.09 0.05 0.98 -0.72 0.02 0.00 0.00 177.10 177.52 1xsc s TYR 87 N 1.06 -0.50 -0.41 2.20 -0.85 -1.13 -4.92 117.35 112.80 1xsc s TYR 87 Ca 0.01 1.18 -0.26 0.00 -0.52 0.00 0.00 57.07 57.47 1xsc s TYR 87 Cb -0.15 0.36 0.02 0.00 0.38 0.00 0.00 41.96 42.58 1xsc s TYR 87 CO -0.00 -0.27 0.96 0.54 -1.52 0.00 0.00 175.55 175.26 1xsc s VAL 88 N 0.03 4.50 0.00 -3.49 0.11 -1.26 -0.46 120.40 119.83 1xsc s VAL 88 Ca 0.02 1.10 0.00 0.00 -2.93 0.00 0.00 61.98 60.17 1xsc s VAL 88 Cb -0.04 -4.40 0.00 0.00 -1.53 0.00 0.00 36.38 30.41 1xsc s VAL 88 CO -0.04 -0.68 0.00 0.00 -3.33 0.00 0.00 175.10 171.05 1xsc n ALA 89 N 7.03 0.00 0.04 1.54 0.00 -1.01 -4.70 120.51 123.41 1xsc n ALA 89 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.39 1xsc n ALA 89 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.92 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 0.49 0.00 0.00 0.11 -2.04 -3.43 114.38 109.51 1xsc h ARG 90 Ca 0.00 -0.43 0.00 0.00 0.10 0.00 0.00 59.98 59.65 1xsc h ARG 90 Cb 0.00 0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.18 1xsc h ARG 90 CO 0.00 1.07 0.00 -1.71 0.10 0.00 0.00 179.97 179.43 1xsc n ASN 91 N -3.84 0.00 -3.67 0.08 2.85 -1.26 -5.14 115.26 104.28 1xsc n ASN 91 Ca -0.06 0.00 -0.08 0.00 -0.11 0.00 0.00 54.58 54.34 1xsc n ASN 91 Cb 0.75 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.68 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 0.00 0.50 -0.09 1.20 2.47 -1.26 -5.08 119.74 117.47 1xsc s LYS 92 Ca 0.00 1.05 -0.30 0.00 -1.56 0.00 0.00 55.97 55.17 1xsc s LYS 92 Cb 0.00 0.20 -0.04 0.00 -1.46 0.00 0.00 37.83 36.53 1xsc s LYS 92 CO 0.00 -0.18 1.54 -1.25 0.16 0.00 0.00 175.35 175.62 1xsc s PRO 93 N 1.88 4.19 -0.20 4.03 0.04 -1.26 -2.39 135.00 141.29 1xsc s PRO 93 Ca -0.08 2.02 -0.09 0.00 0.04 0.00 0.00 61.00 62.89 1xsc s PRO 93 Cb -0.08 -3.92 -0.05 0.00 0.04 0.00 0.00 34.50 30.49 1xsc s PRO 93 CO -0.16 -0.81 0.11 0.15 0.04 0.00 0.00 177.00 176.32 1xsc s LYS 94 N 3.89 4.09 -0.35 4.56 -0.14 0.39 0.77 119.74 132.94 1xsc s LYS 94 Ca 0.68 -0.28 -0.17 0.00 -1.36 0.00 0.00 55.97 54.84 1xsc s LYS 94 Cb -0.30 -3.35 -0.00 0.00 -1.68 0.00 0.00 37.83 32.50 1xsc s LYS 94 CO 0.25 0.26 0.44 0.99 -0.76 0.00 0.00 175.35 176.53 1xsc s THR 95 N 0.44 5.09 -0.33 2.17 2.01 0.45 -2.83 115.64 122.64 1xsc s THR 95 Ca 0.06 0.15 -0.03 0.00 0.31 0.00 0.00 61.69 62.18 1xsc s THR 95 Cb -0.12 -3.91 0.06 0.00 0.01 0.00 0.00 72.50 68.54 1xsc s THR 95 CO -0.01 -0.18 0.06 -0.69 -0.69 0.00 0.00 174.62 173.11 1xsc s VAL 96 N 2.21 3.15 -0.24 3.82 1.01 0.35 0.94 120.40 131.63 1xsc s VAL 96 Ca 0.15 -1.50 -0.23 0.00 0.00 0.00 0.00 61.98 60.40 1xsc s VAL 96 Cb -0.16 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 1xsc s VAL 96 CO 0.13 -0.24 0.77 -0.63 0.00 0.00 0.00 175.10 175.12 1xsc s ILE 97 N 1.25 4.89 -0.19 2.22 -1.09 -1.12 0.57 121.20 127.72 1xsc s ILE 97 Ca -0.02 1.44 -0.07 0.00 -2.23 0.00 0.00 60.65 59.77 1xsc s ILE 97 Cb -0.20 -4.06 -0.04 0.00 -1.58 0.00 0.00 42.46 36.58 1xsc s ILE 97 CO -0.01 -0.03 0.06 -0.31 -1.23 0.00 0.00 174.94 173.42 1xsc s TYR 98 N 2.68 3.22 0.15 3.97 2.02 0.26 -0.90 117.35 128.75 1xsc s TYR 98 Ca 0.32 -0.00 0.09 0.00 -0.37 0.00 0.00 57.07 57.11 1xsc s TYR 98 Cb -0.15 -2.10 -0.04 0.00 -0.40 0.00 0.00 41.96 39.27 1xsc s TYR 98 CO 0.08 0.08 -0.11 -1.58 -1.57 0.00 0.00 175.55 172.45 1xsc s TRP 99 N 0.55 2.64 -0.23 2.71 0.51 -1.16 -3.57 118.94 120.39 1xsc s TRP 99 Ca 0.03 -0.21 -0.21 0.00 -2.12 0.00 0.00 56.10 53.58 1xsc s TRP 99 Cb -0.13 -1.33 -0.02 0.00 -0.81 0.00 0.00 33.47 31.19 1xsc s TRP 99 CO 0.01 0.47 0.67 -0.51 -0.51 0.00 0.00 176.95 177.08 1xsc s LEU 100 N -2.59 4.10 0.03 2.99 1.43 -1.26 0.16 118.68 123.53 1xsc s LEU 100 Ca 0.23 0.82 0.04 0.00 -1.03 0.00 0.00 54.13 54.19 1xsc s LEU 100 Cb -0.10 -2.93 -0.02 0.00 0.03 0.00 0.00 46.19 43.18 1xsc s LEU 100 CO 0.14 -0.36 -0.13 0.00 0.23 0.00 0.00 176.35 176.23 1xsc s ALA 101 N 2.33 1.07 -0.21 4.21 0.00 0.38 0.10 121.76 129.64 1xsc s ALA 101 Ca 0.29 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.52 1xsc s ALA 101 Cb -0.16 -0.18 0.05 0.00 0.00 0.00 0.00 23.12 22.83 1xsc s ALA 101 CO 0.09 0.21 -0.11 -2.00 0.00 0.00 0.00 175.76 173.94 1xsc s GLU 102 N -0.97 2.17 -0.25 0.00 2.12 -0.54 0.27 118.70 121.51 1xsc s GLU 102 Ca 0.01 -0.97 -0.29 0.00 0.36 0.00 0.00 54.97 54.08 1xsc s GLU 102 Cb -0.07 -2.56 -0.01 0.00 0.26 0.00 0.00 34.13 31.74 1xsc s GLU 102 CO 0.01 -0.45 1.45 0.14 -0.54 0.00 0.00 175.26 175.87 1xsc s VAL 103 N 1.31 3.93 0.56 3.70 -7.23 -1.24 0.48 120.40 121.91 1xsc s VAL 103 Ca -0.03 1.06 0.25 0.00 -1.81 0.00 0.00 61.98 61.46 1xsc s VAL 103 Cb -0.17 -3.92 0.32 0.00 0.56 0.00 0.00 36.38 33.17 1xsc s VAL 103 CO -0.08 -0.36 2.21 0.07 -0.31 0.00 0.00 175.10 176.64 1xsc h LYS 104 N 9.87 0.00 -5.19 4.82 2.10 -1.59 -3.39 116.57 123.18 1xsc h LYS 104 Ca -0.30 0.00 -0.67 0.00 -2.00 0.00 0.00 60.65 57.68 1xsc h LYS 104 Cb 1.12 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 32.29 1xsc h LYS 104 CO 1.01 0.01 -0.01 -0.51 -2.00 0.00 0.00 179.45 177.95 1xsc s ASP 105 N -6.45 6.27 0.30 7.07 1.11 -1.26 -4.93 116.67 118.79 1xsc s ASP 105 Ca -0.05 -0.47 -0.00 0.00 0.18 0.00 0.00 52.55 52.21 1xsc s ASP 105 Cb 0.16 -2.28 0.49 0.00 1.07 0.00 0.00 42.92 42.36 1xsc s ASP 105 CO 0.59 -0.70 1.93 0.22 1.18 0.00 0.00 175.17 178.39 1xsc h TYR 106 N 8.81 1.05 -0.67 4.23 3.20 -1.99 -0.26 116.97 131.34 1xsc h TYR 106 Ca -0.26 0.03 -0.25 0.00 3.14 0.00 0.00 58.73 61.38 1xsc h TYR 106 Cb 1.10 -0.35 -0.15 0.00 1.54 0.00 0.00 36.73 38.87 1xsc h TYR 106 CO 0.68 0.59 0.26 -0.25 -1.64 0.00 0.00 178.16 177.80 1xsc n ASP 107 N -4.46 4.01 -4.44 -2.11 9.92 -1.26 -5.02 116.55 113.18 1xsc n ASP 107 Ca 0.12 -3.40 -0.39 0.00 -0.53 0.00 0.00 54.79 50.59 1xsc n ASP 107 Cb 0.13 -0.72 0.03 0.00 -0.64 0.00 0.00 41.12 39.92 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 -0.62 1.96 -2.44 2.53 3.14 -0.11 -4.90 118.33 117.89 1xsc n VAL 108 Ca 0.42 -0.50 -0.39 0.00 -2.96 0.00 0.00 64.34 60.91 1xsc n VAL 108 Cb 1.33 -0.60 -0.04 0.00 -1.06 0.00 0.00 33.84 33.47 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 -1.91 4.39 -0.36 1.45 1.03 -1.26 -5.02 118.70 117.02 1xsc s GLU 109 Ca 0.67 1.76 0.02 0.00 0.03 0.00 0.00 54.97 57.45 1xsc s GLU 109 Cb -0.47 -2.92 0.10 0.00 -0.80 0.00 0.00 34.13 30.05 1xsc s GLU 109 CO 0.56 -0.00 0.10 0.42 -1.33 0.00 0.00 175.26 175.00 1xsc s ILE 110 N -1.33 2.55 -0.56 1.83 -1.09 -1.24 -4.35 121.20 117.00 1xsc s ILE 110 Ca 0.51 -2.31 -0.12 0.00 -2.23 0.00 0.00 60.65 56.49 1xsc s ILE 110 Cb -0.30 -2.84 0.14 0.00 -1.58 0.00 0.00 42.46 37.89 1xsc s ILE 110 CO 0.38 -0.63 0.48 -0.13 -1.23 0.00 0.00 174.94 173.81 1xsc s ARG 111 N 0.92 2.87 0.70 2.79 0.52 0.33 -4.84 118.95 122.24 1xsc s ARG 111 Ca 0.11 -1.89 -0.08 0.00 -0.52 0.00 0.00 55.73 53.34 1xsc s ARG 111 Cb -0.20 -4.15 0.15 0.00 0.52 0.00 0.00 34.95 31.27 1xsc s ARG 111 CO -0.07 -1.27 0.96 1.28 0.02 0.00 0.00 175.30 176.22 1xsc n LEU 112 N 4.83 0.00 0.00 2.53 4.77 -1.26 -0.36 117.00 127.51 1xsc n LEU 112 Ca -0.06 -1.36 0.00 0.00 -0.03 0.00 0.00 56.01 54.56 1xsc n LEU 112 Cb 0.41 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1xsc n LEU 112 CO 0.46 -1.11 0.00 -0.24 -1.33 0.00 0.00 177.39 175.16 1xsc n SER 113 N -3.40 1.96 0.14 -1.43 2.88 -1.25 -4.79 113.62 107.74 1xsc n SER 113 Ca 0.13 -0.61 0.12 0.00 -1.33 0.00 0.00 58.87 57.18 1xsc n SER 113 Cb 0.46 0.00 0.52 0.00 -0.75 0.00 0.00 64.21 64.44 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 0.00 0.86 0.14 0.66 -0.00 -1.26 -2.17 115.22 113.45 1xsc n HIS 114 Ca 0.00 0.35 0.12 0.00 0.46 0.00 0.00 57.72 58.64 1xsc n HIS 114 Cb 0.00 -1.06 0.00 0.00 -0.12 0.00 0.00 29.99 28.81 1xsc n HIS 114 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1xsc n GLU 115 N -2.29 0.58 -4.34 1.57 4.07 -1.26 -4.78 120.64 114.19 1xsc n GLU 115 Ca 0.02 0.11 -0.33 0.00 -0.06 0.00 0.00 57.16 56.90 1xsc n GLU 115 Cb 0.21 -1.81 -0.16 0.00 -0.06 0.00 0.00 31.44 29.62 1xsc n GLU 115 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 1xsc s HIS 116 N -3.35 2.74 -1.19 4.31 3.76 -0.92 -1.98 115.29 118.65 1xsc s HIS 116 Ca -0.00 -1.50 0.18 0.00 -0.15 0.00 0.00 55.06 53.58 1xsc s HIS 116 Cb 0.10 -1.88 -0.11 0.00 1.11 0.00 0.00 32.58 31.80 1xsc s HIS 116 CO 0.79 -0.72 0.82 0.00 -0.85 0.00 0.00 174.74 174.78 1xsc n GLN 117 N 4.40 1.40 -3.52 1.40 10.64 -1.10 -3.96 117.38 126.64 1xsc n GLN 117 Ca -0.21 -0.39 -0.11 0.00 -1.83 0.00 0.00 57.00 54.47 1xsc n GLN 117 Cb 0.51 -1.33 -0.04 0.00 -0.86 0.00 0.00 30.24 28.52 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 -2.39 -1.83 0.28 2.61 0.00 -1.25 -5.03 121.76 114.15 1xsc s ALA 118 Ca 0.10 1.21 0.02 0.00 0.00 0.00 0.00 51.96 53.30 1xsc s ALA 118 Cb 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 23.12 23.22 1xsc s ALA 118 CO 0.60 -0.51 0.11 1.52 0.00 0.00 0.00 175.76 177.48 1xsc s TYR 119 N -2.15 1.58 0.11 0.00 1.13 -1.26 0.13 117.35 116.89 1xsc s TYR 119 Ca -0.01 -1.23 -0.22 0.00 -1.41 0.00 0.00 57.07 54.20 1xsc s TYR 119 Cb -0.01 -0.91 0.06 0.00 -1.10 0.00 0.00 41.96 40.00 1xsc s TYR 119 CO -0.02 -0.38 0.55 1.03 -2.51 0.00 0.00 175.55 174.21 1xsc s ARG 120 N -3.95 1.16 -0.25 -3.49 0.52 0.12 -4.90 118.95 108.14 1xsc s ARG 120 Ca 0.37 -0.40 0.02 0.00 -0.52 0.00 0.00 55.73 55.20 1xsc s ARG 120 Cb 0.07 0.53 0.06 0.00 0.52 0.00 0.00 34.95 36.13 1xsc s ARG 120 CO 0.15 -0.46 -0.08 -1.58 0.02 0.00 0.00 175.30 173.35 1xsc s TRP 121 N -3.21 2.91 0.22 -0.53 0.52 -1.26 -0.34 118.94 117.25 1xsc s TRP 121 Ca -0.01 -2.11 -0.00 0.00 0.02 0.00 0.00 56.10 54.00 1xsc s TRP 121 Cb -0.00 -1.82 -0.04 0.00 -1.15 0.00 0.00 33.47 30.46 1xsc s TRP 121 CO -0.08 -0.84 0.13 -0.51 0.02 0.00 0.00 176.95 175.67 1xsc s LEU 122 N 1.22 1.28 0.00 2.99 1.02 -0.96 -4.85 118.68 119.38 1xsc s LEU 122 Ca -0.07 -1.42 0.00 0.00 0.02 0.00 0.00 54.13 52.67 1xsc s LEU 122 Cb -0.19 0.32 0.00 0.00 0.02 0.00 0.00 46.19 46.34 1xsc s LEU 122 CO -0.06 -0.84 0.00 0.61 0.02 0.00 0.00 176.35 176.09 1xsc n GLY 123 N -0.33 -0.70 0.19 -3.19 0.00 -1.26 0.65 105.19 100.54 1xsc n GLY 123 Ca 0.02 -1.45 -0.19 0.00 0.00 0.00 0.00 46.02 44.40 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 0.82 0.11 0.99 5.85 -1.92 -1.28 115.31 119.89 1xsc h LEU 124 Ca 0.00 -0.71 -0.01 0.00 0.84 0.00 0.00 57.88 58.00 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 1.42 -0.05 1.05 -0.34 0.00 0.00 178.44 180.51 1xsc h GLU 125 N 0.30 -0.15 -0.16 1.25 4.11 -1.97 0.69 114.58 118.66 1xsc h GLU 125 Ca -0.09 0.01 -0.08 0.00 0.07 0.00 0.00 59.36 59.27 1xsc h GLU 125 Cb 1.51 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.79 1xsc h GLU 125 CO 0.17 0.00 -0.20 0.93 0.07 0.00 0.00 179.01 179.98 1xsc h GLU 126 N -0.27 0.41 -0.23 1.06 3.07 -1.92 0.37 114.58 117.08 1xsc h GLU 126 Ca -0.02 -0.23 0.07 0.00 -0.50 0.00 0.00 59.36 58.68 1xsc h GLU 126 Cb 0.22 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 1xsc h GLU 126 CO 0.03 0.81 0.16 0.00 -1.40 0.00 0.00 179.01 178.61 1xsc h ALA 127 N 0.60 2.21 0.04 3.43 0.00 -1.22 0.80 119.26 125.12 1xsc h ALA 127 Ca 0.02 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.66 1xsc h ALA 127 Cb 0.76 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1xsc h ALA 127 CO 0.05 -0.28 -1.36 0.00 0.00 0.00 0.00 179.25 177.66 1xsc h GLN 129 N 0.03 0.66 0.05 0.00 -0.00 0.20 -3.16 115.11 112.88 1xsc h GLN 129 Ca -0.16 -0.16 -0.17 0.00 -0.00 0.00 0.00 58.65 58.16 1xsc h GLN 129 Cb 1.92 -0.09 0.02 0.00 -0.00 0.00 0.00 27.48 29.33 1xsc h GLN 129 CO 0.13 0.68 -0.71 -0.07 -0.00 0.00 0.00 178.83 178.86 1xsc h LEU 130 N 0.53 0.54 -4.55 0.06 3.38 -1.23 -3.29 115.31 110.75 1xsc h LEU 130 Ca 0.13 -0.82 -0.30 0.00 0.09 0.00 0.00 57.88 56.99 1xsc h LEU 130 Cb 0.31 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1xsc h LEU 130 CO 0.00 1.30 1.06 0.00 0.09 0.00 0.00 178.44 180.89 1xsc n ALA 131 N -2.62 5.73 -0.62 1.53 0.00 -0.79 -3.57 120.51 120.16 1xsc n ALA 131 Ca -0.12 -1.99 0.47 0.00 0.00 0.00 0.00 53.44 51.81 1xsc n ALA 131 Cb 0.74 -2.64 0.73 0.00 0.00 0.00 0.00 19.45 18.28 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 3.05 -0.00 -1.67 0.00 0.00 -1.22 -3.98 117.38 113.56 1xsc n GLN 132 Ca 0.46 0.99 -0.42 0.00 0.00 0.00 0.00 57.00 58.03 1xsc n GLN 132 Cb 0.55 -2.25 -0.03 0.00 0.00 0.00 0.00 30.24 28.50 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 -4.71 1.26 0.26 2.61 0.40 -1.26 -4.86 117.98 111.69 1xsc s PHE 133 Ca -0.05 -0.31 -0.04 0.00 -0.60 0.00 0.00 56.93 55.93 1xsc s PHE 133 Cb 0.25 -4.20 0.51 0.00 0.51 0.00 0.00 43.02 40.09 1xsc s PHE 133 CO 0.80 -5.35 1.64 -0.22 0.70 0.00 0.00 175.22 172.80 1xsc h LYS 134 N 11.27 0.14 -0.21 0.44 3.64 -1.97 -1.49 116.57 128.40 1xsc h LYS 134 Ca -0.48 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 58.95 1xsc h LYS 134 Cb 1.24 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.95 1xsc h LYS 134 CO 0.94 0.10 -0.30 0.93 -2.27 0.00 0.00 179.45 178.85 1xsc h GLU 135 N 0.15 -0.32 -0.64 1.90 3.07 -1.89 -1.85 114.58 115.00 1xsc h GLU 135 Ca 0.45 0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.31 1xsc h GLU 135 Cb 0.83 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.78 1xsc h GLU 135 CO -0.65 -0.21 0.32 0.52 -1.40 0.00 0.00 179.01 177.59 1xsc h MET 136 N -0.33 0.92 -0.91 2.33 2.86 -1.57 -1.72 114.93 116.51 1xsc h MET 136 Ca 0.12 -0.13 0.21 0.00 -2.06 0.00 0.00 59.70 57.84 1xsc h MET 136 Cb 0.52 -0.17 -0.07 0.00 0.06 0.00 0.00 31.60 31.95 1xsc h MET 136 CO -0.40 0.72 0.60 0.87 1.06 0.00 0.00 176.91 179.77 1xsc h LYS 137 N 0.88 0.37 -0.00 1.72 6.56 -0.69 -0.29 116.57 125.12 1xsc h LYS 137 Ca 0.22 -0.02 -0.07 0.00 -1.06 0.00 0.00 60.65 59.72 1xsc h LYS 137 Cb 0.10 -0.08 0.01 0.00 -0.57 0.00 0.00 32.23 31.68 1xsc h LYS 137 CO -0.03 0.24 -0.26 0.00 -2.06 0.00 0.00 179.45 177.34 1xsc h ALA 138 N 1.61 0.04 -0.90 3.86 0.00 -0.58 -0.11 119.26 123.17 1xsc h ALA 138 Ca 0.47 -0.47 0.16 0.00 0.00 0.00 0.00 54.91 55.07 1xsc h ALA 138 Cb 1.23 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.93 1xsc h ALA 138 CO -0.17 0.10 0.49 0.00 0.00 0.00 0.00 179.25 179.67 1xsc h ALA 139 N 0.26 1.40 0.00 0.00 0.00 -0.32 0.38 119.26 120.99 1xsc h ALA 139 Ca -0.03 0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1xsc h ALA 139 Cb 1.02 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1xsc h ALA 139 CO 0.05 -0.07 -0.76 -0.07 0.00 0.00 0.00 179.25 178.40 1xsc h LEU 140 N 0.68 0.00 0.14 0.00 3.38 -1.17 -2.19 115.31 116.15 1xsc h LEU 140 Ca 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.46 1xsc h LEU 140 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1xsc h LEU 140 CO -0.37 0.76 -0.07 1.56 0.09 0.00 0.00 178.44 180.42 1xsc h GLN 141 N 0.00 -0.18 -0.09 1.13 1.08 0.15 -2.69 115.11 114.51 1xsc h GLN 141 Ca -0.01 0.01 -0.13 0.00 -1.45 0.00 0.00 58.65 57.07 1xsc h GLN 141 Cb 1.52 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.98 1xsc h GLN 141 CO 0.10 0.13 -0.54 0.93 -0.95 0.00 0.00 178.83 178.50 1xsc h GLU 142 N -0.51 0.25 -0.99 1.46 4.39 -0.58 -2.47 114.58 116.13 1xsc h GLU 142 Ca -0.02 -0.15 0.07 0.00 0.34 0.00 0.00 59.36 59.60 1xsc h GLU 142 Cb 0.40 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.00 1xsc h GLU 142 CO 0.03 0.73 0.64 0.78 -1.16 0.00 0.00 179.01 180.03 1xsc h GLY 143 N 1.39 1.51 1.87 -3.84 0.00 -1.35 0.05 103.07 102.71 1xsc h GLY 143 Ca 0.00 -0.46 -0.23 0.00 0.00 0.00 0.00 47.33 46.64 1xsc h GLY 143 CO 0.08 0.32 -1.09 0.84 0.00 0.00 0.00 176.54 176.69 1xsc h HIS 144 N 1.14 0.12 0.20 5.60 -0.00 -1.39 -2.97 115.15 117.85 1xsc h HIS 144 Ca 0.43 -0.09 -0.01 0.00 -0.00 0.00 0.00 60.37 60.70 1xsc h HIS 144 Cb 0.20 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.61 1xsc h HIS 144 CO -0.00 1.07 -0.10 0.37 -0.00 0.00 0.00 177.93 179.27 1xsc h GLN 145 N 0.02 -0.26 0.29 5.26 5.75 -0.85 -0.79 115.11 124.53 1xsc h GLN 145 Ca -0.05 0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 1xsc h GLN 145 Cb 1.83 0.06 0.00 0.00 1.07 0.00 0.00 27.48 30.44 1xsc h GLN 145 CO 0.15 -0.00 -0.14 0.35 -2.65 0.00 0.00 178.83 176.53 1xsc h PHE 146 N -0.50 -0.36 -1.00 3.99 3.04 -1.15 -3.10 116.94 117.87 1xsc h PHE 146 Ca -0.03 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.02 1xsc h PHE 146 Cb 0.38 0.12 -0.08 0.00 2.56 0.00 0.00 35.95 38.93 1xsc h PHE 146 CO 0.00 -0.09 0.63 -0.07 -2.02 0.00 0.00 178.31 176.76 1xsc h LEU 147 N -0.59 0.94 -1.63 0.59 3.38 -1.59 0.19 115.31 116.61 1xsc h LEU 147 Ca -0.04 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xsc h LEU 147 Cb 0.43 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1xsc h LEU 147 CO 0.07 0.53 0.00 0.00 0.09 0.00 0.00 178.44 179.13 1xsc n SER 149 N -2.39 0.63 0.00 0.00 2.88 0.66 -4.15 113.62 111.24 1xsc n SER 149 Ca -0.01 -0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 1xsc n SER 149 Cb 0.05 0.64 0.00 0.00 -0.75 0.00 0.00 64.21 64.16 1xsc n SER 149 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1xsc n ILE 150 N -2.02 0.00 1.24 2.46 5.41 0.27 -4.88 119.36 121.83 1xsc n ILE 150 Ca 0.02 0.00 0.11 0.00 1.00 0.00 0.00 62.75 63.89 1xsc n ILE 150 Cb 0.44 0.00 0.40 0.00 -0.71 0.00 0.00 39.64 39.77 1xsc n ILE 150 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1xsc n GLU 151 N 0.00 1.77 0.04 0.38 0.28 -1.26 -4.01 120.64 117.84 1xsc n GLU 151 Ca 0.00 -1.15 0.08 0.00 -0.16 0.00 0.00 57.16 55.94 1xsc n GLU 151 Cb 0.00 -1.42 0.35 0.00 1.43 0.00 0.00 31.44 31.80 1xsc n GLU 151 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xsc n ALA 152 N 0.37 1.63 -0.41 -1.84 0.00 -1.25 -5.03 120.51 113.98 1xsc n ALA 152 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1xsc n ALA 152 Cb 0.36 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1xsc n ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78