#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsc s PRO 2 N 0.00 2.88 -0.04 1.61 0.04 -1.26 -4.72 135.00 133.51 1xsc s PRO 2 Ca 0.00 0.50 0.00 0.00 0.04 0.00 0.00 61.00 61.54 1xsc s PRO 2 Cb 0.00 -4.30 -0.03 0.00 0.04 0.00 0.00 34.50 30.22 1xsc s PRO 2 CO 0.00 -2.45 -0.04 -0.11 0.04 0.00 0.00 177.00 174.45 1xsc n LEU 3 N 11.50 2.81 0.00 -3.56 -0.00 -1.26 -5.10 117.00 121.39 1xsc n LEU 3 Ca 0.16 -0.02 0.00 0.00 -0.00 0.00 0.00 56.01 56.16 1xsc n LEU 3 Cb 0.51 -0.14 0.00 0.00 -0.00 0.00 0.00 43.42 43.79 1xsc n LEU 3 CO 0.71 0.54 0.00 0.61 -0.00 0.00 0.00 177.39 179.24 1xsc n GLY 4 N 3.27 2.38 3.53 -3.96 0.00 -1.26 -5.00 105.19 104.14 1xsc n GLY 4 Ca -0.07 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 1xsc n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xsc s SER 5 N -4.00 6.26 0.01 1.61 0.01 -1.26 -5.00 113.70 111.33 1xsc s SER 5 Ca 0.00 -0.43 -0.30 0.00 1.31 0.00 0.00 55.95 56.53 1xsc s SER 5 Cb 0.00 -2.50 -0.05 0.00 0.21 0.00 0.00 66.02 63.68 1xsc s SER 5 CO 0.00 -1.54 1.30 -0.32 0.41 0.00 0.00 173.24 173.09 1xsc s MET 6 N 4.82 4.34 0.47 12.44 1.75 -1.26 -4.81 119.30 137.05 1xsc s MET 6 Ca 0.33 1.85 0.00 0.00 -1.25 0.00 0.00 55.69 56.62 1xsc s MET 6 Cb -0.11 -3.49 0.00 0.00 2.84 0.00 0.00 34.83 34.07 1xsc s MET 6 CO 0.17 -0.46 0.00 0.00 -0.65 0.00 0.00 175.02 174.08 1xsc n ALA 7 N 4.88 -3.65 -2.65 4.11 0.00 -1.26 -4.88 120.51 117.07 1xsc n ALA 7 Ca 0.11 0.69 -0.34 0.00 0.00 0.00 0.00 53.44 53.90 1xsc n ALA 7 Cb 0.45 -1.40 -0.11 0.00 0.00 0.00 0.00 19.45 18.39 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 -6.89 3.28 -0.02 0.00 1.02 0.21 -4.97 118.68 111.32 1xsc s LEU 8 Ca 0.00 0.01 -0.30 0.00 0.02 0.00 0.00 54.13 53.86 1xsc s LEU 8 Cb 0.00 -1.73 -0.03 0.00 0.02 0.00 0.00 46.19 44.45 1xsc s LEU 8 CO 0.00 0.35 1.02 -0.13 0.02 0.00 0.00 176.35 177.61 1xsc s ARG 9 N -0.70 4.50 0.09 1.70 0.52 -1.26 -0.71 118.95 123.09 1xsc s ARG 9 Ca 0.11 1.46 -0.05 0.00 -0.52 0.00 0.00 55.73 56.73 1xsc s ARG 9 Cb -0.11 -3.48 -0.02 0.00 0.52 0.00 0.00 34.95 31.86 1xsc s ARG 9 CO 0.02 -0.16 0.11 0.00 0.02 0.00 0.00 175.30 175.28 1xsc s ALA 10 N 1.35 0.17 -0.26 2.13 0.00 0.21 -0.12 121.76 125.24 1xsc s ALA 10 Ca 0.52 -0.94 -0.11 0.00 0.00 0.00 0.00 51.96 51.43 1xsc s ALA 10 Cb -0.21 0.48 0.10 0.00 0.00 0.00 0.00 23.12 23.49 1xsc s ALA 10 CO 0.25 -0.47 0.58 0.00 0.00 0.00 0.00 175.76 176.12 1xsc s GLY 12 N 2.37 2.48 -0.18 0.00 0.00 0.40 -3.03 107.32 109.36 1xsc s GLY 12 Ca -0.06 -2.06 0.01 0.00 0.00 0.00 0.00 44.72 42.60 1xsc s GLY 12 CO -0.17 -2.03 -0.15 -2.27 0.00 0.00 0.00 173.10 168.48 1xsc s LEU 13 N -3.81 2.07 -0.96 0.66 0.20 -1.22 -3.36 118.68 112.27 1xsc s LEU 13 Ca 0.35 -0.69 -0.22 0.00 0.69 0.00 0.00 54.13 54.26 1xsc s LEU 13 Cb 0.07 -1.31 0.07 0.00 -0.43 0.00 0.00 46.19 44.59 1xsc s LEU 13 CO 0.19 -0.07 1.32 -0.63 -0.29 0.00 0.00 176.35 176.87 1xsc s ILE 14 N 1.38 4.15 0.32 6.68 1.01 0.10 -4.50 121.20 130.34 1xsc s ILE 14 Ca 0.03 -0.88 -0.24 0.00 0.00 0.00 0.00 60.65 59.56 1xsc s ILE 14 Cb -0.14 -4.95 -0.10 0.00 0.01 0.00 0.00 42.46 37.28 1xsc s ILE 14 CO -0.11 -1.79 0.90 -0.63 0.00 0.00 0.00 174.94 173.31 1xsc s ILE 15 N 4.36 4.31 -0.19 2.92 1.01 -1.25 0.13 121.20 132.48 1xsc s ILE 15 Ca 0.40 1.66 -0.07 0.00 0.00 0.00 0.00 60.65 62.65 1xsc s ILE 15 Cb -0.03 -3.92 0.09 0.00 0.01 0.00 0.00 42.46 38.61 1xsc s ILE 15 CO -0.07 0.08 0.41 0.72 0.00 0.00 0.00 174.94 176.09 1xsc s PHE 16 N -1.68 -0.76 -0.23 3.97 -0.71 1.07 -1.16 117.98 118.47 1xsc s PHE 16 Ca 0.51 1.48 -0.29 0.00 -1.04 0.00 0.00 56.93 57.58 1xsc s PHE 16 Cb -0.17 0.29 -0.00 0.00 -1.21 0.00 0.00 43.02 41.93 1xsc s PHE 16 CO 0.22 -0.46 1.22 0.50 -1.34 0.00 0.00 175.22 175.36 1xsc s ARG 17 N 2.46 4.12 -0.33 1.99 3.52 0.33 -3.86 118.95 127.18 1xsc s ARG 17 Ca -0.03 1.42 -0.18 0.00 -0.13 0.00 0.00 55.73 56.82 1xsc s ARG 17 Cb -0.12 -3.78 -0.01 0.00 -1.56 0.00 0.00 34.95 29.48 1xsc s ARG 17 CO -0.13 -0.85 0.50 0.50 -0.81 0.00 0.00 175.30 174.52 1xsc s ARG 18 N 3.69 3.73 0.25 5.12 3.52 -1.26 -2.23 118.95 131.78 1xsc s ARG 18 Ca 0.53 -0.06 0.05 0.00 -0.13 0.00 0.00 55.73 56.12 1xsc s ARG 18 Cb -0.18 -3.77 -0.03 0.00 -1.56 0.00 0.00 34.95 29.41 1xsc s ARG 18 CO 0.16 -0.56 0.38 0.00 -0.81 0.00 0.00 175.30 174.47 1xsc n LEU 20 N -1.45 0.59 -4.65 0.00 7.94 -1.26 -4.92 117.00 113.25 1xsc n LEU 20 Ca -0.08 0.13 -0.24 0.00 -1.11 0.00 0.00 56.01 54.71 1xsc n LEU 20 Cb 0.57 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.45 1xsc n LEU 20 CO 0.45 0.00 -0.32 0.27 -1.11 0.00 0.00 177.39 176.67 1xsc s ILE 21 N -0.25 3.54 0.56 1.96 -5.25 -1.26 -5.09 121.20 115.41 1xsc s ILE 21 Ca 0.00 -1.76 -0.20 0.00 -0.99 0.00 0.00 60.65 57.69 1xsc s ILE 21 Cb 0.00 -2.86 -0.06 0.00 2.95 0.00 0.00 42.46 42.49 1xsc s ILE 21 CO 0.00 -0.30 1.02 -2.65 -1.79 0.00 0.00 174.94 171.22 1xsc n PRO 22 N -0.68 1.10 0.00 0.37 -0.02 -1.26 -4.99 135.00 129.51 1xsc n PRO 22 Ca -0.08 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1xsc n PRO 22 Cb 0.58 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1xsc n PRO 22 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1xsc n LYS 23 N -0.73 0.00 0.00 -0.52 4.01 -1.26 -4.95 118.16 114.70 1xsc n LYS 23 Ca 0.12 0.04 0.00 0.00 -0.51 0.00 0.00 58.31 57.96 1xsc n LYS 23 Cb 0.45 -0.60 0.00 0.00 -0.51 0.00 0.00 35.03 34.37 1xsc n LYS 23 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 1xsc n VAL 24 N -0.62 0.00 0.00 -0.18 0.24 -1.26 -5.00 118.33 111.51 1xsc n VAL 24 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1xsc n VAL 24 Cb 0.00 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.10 1xsc n VAL 24 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1xsc n ASP 25 N -1.96 0.00 0.00 -1.34 10.43 -1.26 -5.08 116.55 117.34 1xsc n ASP 25 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 1xsc n ASP 25 Cb 0.17 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.13 1xsc n ASP 25 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1xsc n ASN 26 N 0.00 0.00 -3.47 -2.24 5.03 -1.26 -5.14 115.26 108.18 1xsc n ASN 26 Ca 0.00 0.02 0.02 0.00 0.87 0.00 0.00 54.58 55.49 1xsc n ASN 26 Cb 0.00 -0.10 0.01 0.00 -1.02 0.00 0.00 39.78 38.67 1xsc n ASN 26 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1xsc n ASN 27 N -1.54 -1.12 -0.07 6.41 5.03 -1.26 -5.06 115.26 117.65 1xsc n ASN 27 Ca 0.00 -1.29 -0.15 0.00 0.87 0.00 0.00 54.58 54.01 1xsc n ASN 27 Cb 0.00 1.76 -0.05 0.00 -1.02 0.00 0.00 39.78 40.47 1xsc n ASN 27 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xsc n ALA 28 N -1.15 1.77 -2.75 5.41 0.00 -1.26 -4.42 120.51 118.12 1xsc n ALA 28 Ca -0.10 -0.65 -0.26 0.00 0.00 0.00 0.00 53.44 52.43 1xsc n ALA 28 Cb 0.52 0.21 -0.06 0.00 0.00 0.00 0.00 19.45 20.12 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 -2.42 4.20 -0.03 0.00 1.01 -1.26 -3.02 121.20 119.68 1xsc s ILE 29 Ca -0.23 -1.21 -0.00 0.00 0.00 0.00 0.00 60.65 59.20 1xsc s ILE 29 Cb 0.07 -3.14 0.03 0.00 0.01 0.00 0.00 42.46 39.44 1xsc s ILE 29 CO 0.30 -0.11 0.02 -1.61 0.00 0.00 0.00 174.94 173.54 1xsc s GLU 30 N -3.06 0.20 0.16 2.79 8.01 -0.95 -4.00 118.70 121.86 1xsc s GLU 30 Ca 0.30 0.15 -0.12 0.00 0.01 0.00 0.00 54.97 55.31 1xsc s GLU 30 Cb -0.10 -0.49 -0.07 0.00 -4.31 0.00 0.00 34.13 29.17 1xsc s GLU 30 CO 0.22 -0.19 0.52 -0.06 0.01 0.00 0.00 175.26 175.75 1xsc s PHE 31 N 1.31 3.54 0.04 1.61 0.08 0.47 0.12 117.98 125.15 1xsc s PHE 31 Ca -0.06 0.94 -0.28 0.00 0.12 0.00 0.00 56.93 57.65 1xsc s PHE 31 Cb -0.13 -2.28 -0.05 0.00 -0.57 0.00 0.00 43.02 39.99 1xsc s PHE 31 CO -0.03 0.40 0.89 -1.17 -0.10 0.00 0.00 175.22 175.21 1xsc s LEU 32 N -2.23 4.43 0.01 -0.37 2.96 -0.31 -2.45 118.68 120.71 1xsc s LEU 32 Ca 0.40 1.60 0.03 0.00 -0.22 0.00 0.00 54.13 55.94 1xsc s LEU 32 Cb -0.14 -3.44 -0.01 0.00 0.50 0.00 0.00 46.19 43.10 1xsc s LEU 32 CO 0.20 -0.11 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.26 1xsc s LEU 33 N 0.38 2.09 -0.30 -0.68 1.43 0.16 -4.40 118.68 117.36 1xsc s LEU 33 Ca 0.45 -0.28 0.03 0.00 -1.03 0.00 0.00 54.13 53.30 1xsc s LEU 33 Cb -0.21 -0.43 0.08 0.00 0.03 0.00 0.00 46.19 45.66 1xsc s LEU 33 CO 0.26 0.04 -0.01 -0.76 0.23 0.00 0.00 176.35 176.12 1xsc s LEU 34 N -0.61 3.88 0.24 1.79 1.43 -0.56 0.03 118.68 124.88 1xsc s LEU 34 Ca 0.01 -1.77 -0.30 0.00 -1.03 0.00 0.00 54.13 51.04 1xsc s LEU 34 Cb -0.05 -1.48 -0.10 0.00 0.03 0.00 0.00 46.19 44.59 1xsc s LEU 34 CO 0.00 -0.31 1.48 -1.58 0.23 0.00 0.00 176.35 176.18 1xsc s GLN 35 N 1.09 4.24 0.36 1.70 0.74 0.29 -1.63 119.66 126.44 1xsc s GLN 35 Ca 0.03 2.35 -0.28 0.00 0.05 0.00 0.00 55.36 57.50 1xsc s GLN 35 Cb -0.19 -3.11 -0.12 0.00 1.10 0.00 0.00 33.01 30.70 1xsc s GLN 35 CO -0.08 -0.48 1.43 0.00 -0.55 0.00 0.00 175.29 175.61 1xsc n ALA 36 N 2.63 2.04 1.57 1.58 0.00 0.27 -3.30 120.51 125.30 1xsc n ALA 36 Ca 0.08 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1xsc n ALA 36 Cb 0.40 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.48 1xsc n ALA 36 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xsc n SER 37 N 0.69 0.19 -1.45 0.00 3.41 -0.50 -4.63 113.62 111.34 1xsc n SER 37 Ca 0.03 -1.76 0.01 0.00 -0.26 0.00 0.00 58.87 56.89 1xsc n SER 37 Cb 0.38 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1xsc n SER 37 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1xsc n ASP 38 N -0.38 -0.16 0.00 4.04 8.00 -1.26 -4.89 116.55 121.90 1xsc n ASP 38 Ca 0.00 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.49 1xsc n ASP 38 Cb 0.05 0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 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 -0.15 1.62 1.11 0.44 0.00 -1.26 -3.13 105.19 103.82 1xsc n GLY 39 Ca 0.01 -0.57 0.10 0.00 0.00 0.00 0.00 46.02 45.56 1xsc n GLY 39 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1xsc n ILE 40 N 0.00 0.73 -3.14 -0.61 -5.35 -1.26 -4.92 119.36 104.81 1xsc n ILE 40 Ca 0.00 -0.78 -0.21 0.00 -0.27 0.00 0.00 62.75 61.49 1xsc n ILE 40 Cb 0.00 0.52 0.05 0.00 -1.74 0.00 0.00 39.64 38.46 1xsc n ILE 40 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1xsc n HIS 41 N 1.29 -2.09 -2.29 4.28 8.25 -1.18 -4.97 115.22 118.50 1xsc n HIS 41 Ca 0.20 0.63 -0.32 0.00 -0.26 0.00 0.00 57.72 57.97 1xsc n HIS 41 Cb 0.53 -4.38 -0.02 0.00 1.12 0.00 0.00 29.99 27.23 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 3.42 -0.11 4.41 -3.43 -1.26 -4.68 115.29 110.45 1xsc s HIS 42 Ca 0.37 1.45 -0.04 0.00 -0.80 0.00 0.00 55.06 56.03 1xsc s HIS 42 Cb -0.16 -2.81 -0.04 0.00 -1.43 0.00 0.00 32.58 28.15 1xsc s HIS 42 CO 0.45 -0.49 0.05 -1.58 -2.00 0.00 0.00 174.74 171.17 1xsc s TRP 43 N -2.68 3.29 -0.27 0.38 0.52 -1.25 0.96 118.94 119.88 1xsc s TRP 43 Ca 0.59 0.25 -0.22 0.00 0.02 0.00 0.00 56.10 56.73 1xsc s TRP 43 Cb -0.11 -1.88 0.08 0.00 -1.15 0.00 0.00 33.47 30.41 1xsc s TRP 43 CO 0.35 0.47 0.73 0.95 0.02 0.00 0.00 176.95 179.47 1xsc s THR 44 N -0.66 0.00 1.42 2.01 -4.23 -0.64 -4.36 115.64 109.16 1xsc s THR 44 Ca 0.11 0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.40 1xsc s THR 44 Cb -0.12 -1.00 0.36 0.00 1.34 0.00 0.00 72.50 73.09 1xsc s THR 44 CO 0.02 0.00 0.94 -2.16 -0.54 0.00 0.00 174.62 172.88 1xsc s PRO 45 N 0.79 -2.88 -0.63 3.99 0.04 -1.26 -1.49 135.00 133.55 1xsc s PRO 45 Ca -0.03 0.11 -0.26 0.00 0.04 0.00 0.00 61.00 60.85 1xsc s PRO 45 Cb -0.05 -1.39 -0.11 0.00 0.04 0.00 0.00 34.50 32.99 1xsc s PRO 45 CO -0.06 -4.84 2.45 -2.30 0.04 0.00 0.00 177.00 172.29 1xsc n PRO 46 N -5.60 0.77 -3.62 0.56 -0.02 -1.26 -4.74 135.00 121.09 1xsc n PRO 46 Ca 0.13 -0.14 -0.36 0.00 -2.02 0.00 0.00 63.50 61.11 1xsc n PRO 46 Cb 0.60 -3.12 -0.08 0.00 -0.02 0.00 0.00 33.50 30.88 1xsc n PRO 46 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1xsc s LYS 47 N 8.46 4.21 -0.08 -0.52 1.02 -1.26 -3.44 119.74 128.12 1xsc s LYS 47 Ca 1.04 -0.06 -0.08 0.00 0.02 0.00 0.00 55.97 56.89 1xsc s LYS 47 Cb -0.35 -3.44 0.02 0.00 -0.52 0.00 0.00 37.83 33.54 1xsc s LYS 47 CO 0.28 0.23 0.23 0.20 -0.92 0.00 0.00 175.35 175.37 1xsc s GLY 48 N 0.51 -0.16 -0.02 -3.33 0.00 -1.18 -4.99 107.32 98.15 1xsc s GLY 48 Ca 0.12 0.61 -0.30 0.00 0.00 0.00 0.00 44.72 45.15 1xsc s GLY 48 CO 0.02 0.51 1.15 -2.38 0.00 0.00 0.00 173.10 172.40 1xsc s HIS 49 N 0.01 3.36 0.04 1.90 -3.43 -1.26 0.66 115.29 116.57 1xsc s HIS 49 Ca -0.01 1.35 -0.20 0.00 -0.80 0.00 0.00 55.06 55.40 1xsc s HIS 49 Cb -0.02 -3.35 -0.06 0.00 -1.43 0.00 0.00 32.58 27.72 1xsc s HIS 49 CO 0.00 -0.99 0.60 0.54 -2.00 0.00 0.00 174.74 172.89 1xsc s VAL 50 N 1.71 4.81 0.29 -5.38 0.11 0.83 -4.85 120.40 117.91 1xsc s VAL 50 Ca 0.55 1.26 -0.09 0.00 -2.93 0.00 0.00 61.98 60.77 1xsc s VAL 50 Cb -0.25 -3.93 -0.07 0.00 -1.53 0.00 0.00 36.38 30.60 1xsc s VAL 50 CO 0.24 0.48 0.61 -0.70 -3.33 0.00 0.00 175.10 172.41 1xsc s GLU 51 N -0.62 3.78 0.63 1.54 2.12 -1.26 -4.46 118.70 120.43 1xsc s GLU 51 Ca 0.31 0.29 0.31 0.00 0.36 0.00 0.00 54.97 56.24 1xsc s GLU 51 Cb -0.19 -2.57 1.73 0.00 0.26 0.00 0.00 34.13 33.35 1xsc s GLU 51 CO 0.18 0.20 2.04 -1.00 -0.54 0.00 0.00 175.26 176.15 1xsc h PRO 52 N 2.04 0.00 0.00 4.30 0.13 -1.98 0.13 132.00 136.63 1xsc h PRO 52 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1xsc h PRO 52 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1xsc h PRO 52 CO 0.67 0.00 -1.15 0.41 -0.23 0.00 0.00 178.00 177.70 1xsc n GLY 53 N -1.31 -1.02 3.90 1.56 0.00 -1.26 -4.96 105.19 102.11 1xsc n GLY 53 Ca 0.01 -0.57 -0.28 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.09 3.59 0.72 1.61 2.12 0.46 -5.08 118.70 119.03 1xsc s GLU 54 Ca 0.05 0.19 -0.11 0.00 0.36 0.00 0.00 54.97 55.46 1xsc s GLU 54 Cb 0.16 -2.42 0.02 0.00 0.26 0.00 0.00 34.13 32.15 1xsc s GLU 54 CO 0.87 -0.11 1.08 0.34 -0.54 0.00 0.00 175.26 176.90 1xsc s ASP 55 N -3.86 5.23 -0.02 -1.70 2.15 -1.26 -4.68 116.67 112.54 1xsc s ASP 55 Ca 0.47 1.29 -0.15 0.00 0.43 0.00 0.00 52.55 54.59 1xsc s ASP 55 Cb -0.10 -2.11 -0.08 0.00 -0.30 0.00 0.00 42.92 40.33 1xsc s ASP 55 CO 0.41 -1.50 0.68 0.44 -0.17 0.00 0.00 175.17 175.03 1xsc h ASP 56 N -0.76 -0.46 -0.61 -0.34 3.32 -1.98 -2.92 116.42 112.67 1xsc h ASP 56 Ca -0.45 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.56 1xsc h ASP 56 Cb 1.24 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.89 1xsc h ASP 56 CO 0.61 -0.09 0.17 0.25 -1.72 0.00 0.00 179.24 178.46 1xsc h LEU 57 N -1.01 0.91 -0.71 1.55 5.85 -1.95 -2.90 115.31 117.04 1xsc h LEU 57 Ca -0.06 -0.22 0.14 0.00 0.84 0.00 0.00 57.88 58.58 1xsc h LEU 57 Cb 0.41 -0.24 -0.10 0.00 0.37 0.00 0.00 40.66 41.11 1xsc h LEU 57 CO 0.09 0.89 0.24 -0.33 -0.34 0.00 0.00 178.44 178.99 1xsc h GLU 58 N 0.88 0.36 -0.93 1.25 5.08 -1.97 1.12 114.58 120.37 1xsc h GLU 58 Ca 0.19 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.58 1xsc h GLU 58 Cb 0.32 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 1xsc h GLU 58 CO -0.00 0.24 0.60 1.15 -1.00 0.00 0.00 179.01 179.99 1xsc h THR 59 N 0.37 1.13 -0.01 1.13 2.02 -1.31 1.25 112.91 117.48 1xsc h THR 59 Ca 0.39 -0.39 -0.14 0.00 0.77 0.00 0.00 66.41 67.05 1xsc h THR 59 Cb 0.60 -0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 1xsc h THR 59 CO -0.42 0.21 -0.63 0.00 0.37 0.00 0.00 175.52 175.05 1xsc h ALA 60 N 1.40 0.93 0.09 6.16 0.00 -0.42 -0.95 119.26 126.48 1xsc h ALA 60 Ca 0.38 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1xsc h ALA 60 Cb 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1xsc h ALA 60 CO -0.14 0.77 -0.04 -0.07 0.00 0.00 0.00 179.25 179.77 1xsc h LEU 61 N 0.04 -0.11 -0.82 0.00 3.38 0.30 -2.71 115.31 115.39 1xsc h LEU 61 Ca -0.01 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 1xsc h LEU 61 Cb 1.12 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 1xsc h LEU 61 CO 0.09 0.48 0.46 0.03 0.09 0.00 0.00 178.44 179.58 1xsc h ARG 62 N -0.76 1.14 -0.36 1.13 3.08 0.14 -1.18 114.38 117.58 1xsc h ARG 62 Ca -0.01 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 1xsc h ARG 62 Cb 0.57 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1xsc h ARG 62 CO 0.02 0.84 0.21 0.00 -1.07 0.00 0.00 179.97 179.97 1xsc h ALA 63 N 1.24 1.70 0.84 0.04 0.00 -1.24 0.61 119.26 122.46 1xsc h ALA 63 Ca 0.29 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1xsc h ALA 63 Cb 0.02 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.67 1xsc h ALA 63 CO -0.05 0.26 -0.40 1.15 0.00 0.00 0.00 179.25 180.21 1xsc h THR 64 N 0.49 0.17 0.00 0.00 2.02 -0.88 0.77 112.91 115.48 1xsc h THR 64 Ca 0.13 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.30 1xsc h THR 64 Cb -0.01 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.57 1xsc h THR 64 CO -0.02 0.00 -0.02 0.06 0.37 0.00 0.00 175.52 175.91 1xsc h GLN 65 N -1.13 0.00 0.20 6.66 -0.00 -0.17 1.58 115.11 122.24 1xsc h GLN 65 Ca -0.11 0.00 -0.32 0.00 -0.00 0.00 0.00 58.65 58.21 1xsc h GLN 65 Cb 0.86 0.00 0.03 0.00 -0.00 0.00 0.00 27.48 28.38 1xsc h GLN 65 CO 0.19 0.02 -1.38 1.49 -0.00 0.00 0.00 178.83 179.14 1xsc h GLU 66 N 0.00 0.58 -0.01 0.06 4.22 0.69 0.51 114.58 120.63 1xsc h GLU 66 Ca -0.00 -0.89 0.00 0.00 0.08 0.00 0.00 59.36 58.55 1xsc h GLU 66 Cb 0.52 0.31 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1xsc h GLU 66 CO 0.00 1.42 -0.36 0.39 -2.18 0.00 0.00 179.01 178.28 1xsc n GLU 67 N -3.75 1.78 0.00 1.92 -0.58 0.26 -4.03 120.64 116.24 1xsc n GLU 67 Ca -0.15 -0.69 0.00 0.00 -0.42 0.00 0.00 57.16 55.89 1xsc n GLU 67 Cb 1.06 -1.24 0.00 0.00 -0.57 0.00 0.00 31.44 30.68 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 -0.28 0.15 -0.56 0.62 0.00 0.53 -3.93 120.51 117.05 1xsc n ALA 68 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1xsc n ALA 68 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 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 1.45 3.62 0.00 0.00 0.17 0.57 105.19 111.09 1xsc n GLY 69 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1xsc n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xsc s ILE 70 N -3.14 5.30 0.43 -0.61 1.01 -1.22 -4.69 121.20 118.28 1xsc s ILE 70 Ca 0.00 0.27 0.08 0.00 0.00 0.00 0.00 60.65 60.99 1xsc s ILE 70 Cb 0.00 -3.56 -0.00 0.00 0.01 0.00 0.00 42.46 38.91 1xsc s ILE 70 CO 0.00 0.26 0.45 -1.83 0.00 0.00 0.00 174.94 173.82 1xsc s GLU 71 N 1.57 2.57 0.50 2.79 1.03 -1.26 -0.20 118.70 125.70 1xsc s GLU 71 Ca 0.09 -1.51 0.31 0.00 0.03 0.00 0.00 54.97 53.89 1xsc s GLU 71 Cb -0.15 -2.46 1.42 0.00 -0.80 0.00 0.00 34.13 32.14 1xsc s GLU 71 CO 0.09 -0.28 1.81 0.00 -1.33 0.00 0.00 175.26 175.55 1xsc h ALA 72 N 0.87 2.83 0.00 -0.84 0.00 -1.89 0.95 119.26 121.19 1xsc h ALA 72 Ca -0.40 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 1xsc h ALA 72 Cb 1.27 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1xsc h ALA 72 CO 0.54 -1.17 -0.27 0.78 0.00 0.00 0.00 179.25 179.12 1xsc h GLY 73 N 0.10 0.00 -1.54 0.00 0.00 -1.99 -2.78 103.07 96.88 1xsc h GLY 73 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.87 1xsc h GLY 73 CO -0.08 0.00 0.00 -0.18 0.00 0.00 0.00 176.54 176.28 1xsc n GLN 74 N -3.33 2.12 -1.78 4.80 -0.06 0.32 -4.94 117.38 114.51 1xsc n GLN 74 Ca 0.01 -1.67 0.00 0.00 -2.00 0.00 0.00 57.00 53.34 1xsc n GLN 74 Cb 0.50 -1.46 0.00 0.00 -4.06 0.00 0.00 30.24 25.22 1xsc n GLN 74 CO 0.00 0.00 0.00 1.47 -0.20 0.00 0.00 177.06 178.33 1xsc n LEU 75 N 0.91 0.00 -3.61 1.69 -0.00 -0.78 -2.50 117.00 112.72 1xsc n LEU 75 Ca 0.17 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.89 1xsc n LEU 75 Cb 0.48 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.75 1xsc n LEU 75 CO 0.15 0.00 -0.33 -0.89 -0.00 0.00 0.00 177.39 176.32 1xsc s THR 76 N -2.00 0.25 0.03 1.47 2.01 0.13 -4.77 115.64 112.76 1xsc s THR 76 Ca 0.00 -0.96 -0.30 0.00 0.31 0.00 0.00 61.69 60.73 1xsc s THR 76 Cb 0.00 -1.20 -0.06 0.00 0.01 0.00 0.00 72.50 71.25 1xsc s THR 76 CO 0.00 -0.70 1.34 -0.63 -0.69 0.00 0.00 174.62 173.94 1xsc s ILE 77 N 1.94 3.76 0.02 1.82 -1.09 -1.26 -1.63 121.20 124.76 1xsc s ILE 77 Ca 0.09 1.19 -0.19 0.00 -2.23 0.00 0.00 60.65 59.51 1xsc s ILE 77 Cb -0.16 -3.76 -0.06 0.00 -1.58 0.00 0.00 42.46 36.89 1xsc s ILE 77 CO -0.32 0.03 0.54 -0.63 -1.23 0.00 0.00 174.94 173.33 1xsc s ILE 78 N 1.90 4.87 0.10 2.92 1.09 0.29 -4.97 121.20 127.40 1xsc s ILE 78 Ca 0.62 1.14 -0.02 0.00 -1.10 0.00 0.00 60.65 61.29 1xsc s ILE 78 Cb -0.31 -3.87 -0.05 0.00 -1.06 0.00 0.00 42.46 37.17 1xsc s ILE 78 CO 0.27 0.50 0.29 -1.61 -0.10 0.00 0.00 174.94 174.29 1xsc s GLU 79 N -0.69 3.53 0.00 2.79 2.02 -1.26 -4.38 118.70 120.71 1xsc s GLU 79 Ca 0.28 -0.27 0.00 0.00 0.02 0.00 0.00 54.97 55.00 1xsc s GLU 79 Cb -0.18 -2.95 0.00 0.00 0.10 0.00 0.00 34.13 31.10 1xsc s GLU 79 CO 0.17 0.54 0.00 0.41 0.02 0.00 0.00 175.26 176.40 1xsc n GLY 80 N 0.20 2.79 3.55 -1.39 0.00 -1.26 -5.04 105.19 104.04 1xsc n GLY 80 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.73 3.16 -0.26 1.61 2.19 -1.26 -5.07 117.98 115.62 1xsc s PHE 81 Ca 0.00 -0.14 -0.11 0.00 0.33 0.00 0.00 56.93 57.01 1xsc s PHE 81 Cb 0.00 -2.13 0.10 0.00 -1.31 0.00 0.00 43.02 39.67 1xsc s PHE 81 CO 0.00 -0.06 0.59 0.21 1.83 0.00 0.00 175.22 177.79 1xsc s LYS 82 N 0.87 0.55 -0.14 10.12 2.20 -1.26 -4.69 119.74 127.39 1xsc s LYS 82 Ca 0.03 1.23 -0.14 0.00 -0.36 0.00 0.00 55.97 56.73 1xsc s LYS 82 Cb -0.14 0.43 0.04 0.00 -1.51 0.00 0.00 37.83 36.65 1xsc s LYS 82 CO 0.02 -0.19 0.38 0.50 -0.36 0.00 0.00 175.35 175.71 1xsc s ARG 83 N 2.25 0.47 -0.03 4.03 6.06 -1.25 -5.02 118.95 125.45 1xsc s ARG 83 Ca -0.07 0.49 0.07 0.00 -2.50 0.00 0.00 55.73 53.72 1xsc s ARG 83 Cb -0.09 0.23 -0.02 0.00 0.06 0.00 0.00 34.95 35.13 1xsc s ARG 83 CO -0.17 -0.06 -0.24 -1.83 -2.50 0.00 0.00 175.30 170.49 1xsc s GLU 84 N 0.10 2.14 -0.32 5.12 1.03 -1.25 -0.39 118.70 125.13 1xsc s GLU 84 Ca -0.01 -0.86 -0.13 0.00 0.03 0.00 0.00 54.97 53.99 1xsc s GLU 84 Cb -0.03 -1.96 -0.03 0.00 -0.80 0.00 0.00 34.13 31.31 1xsc s GLU 84 CO 0.01 0.46 0.27 -0.51 -1.33 0.00 0.00 175.26 174.16 1xsc s LEU 85 N -0.41 4.33 -0.17 1.83 1.43 0.29 -4.74 118.68 121.25 1xsc s LEU 85 Ca 0.05 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 52.92 1xsc s LEU 85 Cb -0.11 -2.21 -0.01 0.00 0.03 0.00 0.00 46.19 43.89 1xsc s LEU 85 CO 0.01 -0.21 -0.11 0.54 0.23 0.00 0.00 176.35 176.81 1xsc s ASN 86 N 1.73 4.03 -0.19 2.29 2.20 -1.24 -0.12 114.94 123.64 1xsc s ASN 86 Ca 0.09 -0.38 -0.28 0.00 -0.94 0.00 0.00 52.86 51.35 1xsc s ASN 86 Cb -0.17 -1.64 0.11 0.00 -2.00 0.00 0.00 41.25 37.55 1xsc s ASN 86 CO 0.11 0.09 0.94 -0.72 -2.94 0.00 0.00 177.10 174.58 1xsc s TYR 87 N 0.82 -0.47 -0.45 1.54 -0.85 -1.16 -4.90 117.35 111.88 1xsc s TYR 87 Ca -0.04 0.95 -0.27 0.00 -0.52 0.00 0.00 57.07 57.19 1xsc s TYR 87 Cb -0.15 0.41 0.03 0.00 0.38 0.00 0.00 41.96 42.62 1xsc s TYR 87 CO 0.01 -0.35 1.03 0.54 -1.52 0.00 0.00 175.55 175.26 1xsc s VAL 88 N -0.61 4.36 0.00 -3.49 0.11 -1.26 -0.64 120.40 118.87 1xsc s VAL 88 Ca -0.01 1.06 0.00 0.00 -2.93 0.00 0.00 61.98 60.09 1xsc s VAL 88 Cb -0.02 -4.51 0.00 0.00 -1.53 0.00 0.00 36.38 30.32 1xsc s VAL 88 CO 0.00 -0.88 0.00 0.00 -3.33 0.00 0.00 175.10 170.90 1xsc n ALA 89 N 7.44 0.00 -0.17 1.54 0.00 -1.07 -4.71 120.51 123.54 1xsc n ALA 89 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.43 1xsc n ALA 89 Cb 0.49 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 0.92 0.00 0.00 -0.00 -2.04 -3.43 114.38 109.84 1xsc h ARG 90 Ca 0.00 -0.35 0.00 0.00 -0.00 0.00 0.00 59.98 59.63 1xsc h ARG 90 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 29.97 29.91 1xsc h ARG 90 CO 0.00 1.00 0.00 -1.71 -0.00 0.00 0.00 179.97 179.26 1xsc n ASN 91 N -4.23 0.00 -3.66 0.08 4.05 -1.26 -5.15 115.26 105.10 1xsc n ASN 91 Ca 0.00 0.00 -0.08 0.00 0.45 0.00 0.00 54.58 54.95 1xsc n ASN 91 Cb 0.39 0.00 -0.08 0.00 1.23 0.00 0.00 39.78 41.31 1xsc n ASN 91 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 1xsc s LYS 92 N 0.00 0.61 -0.11 1.20 2.47 -1.26 -5.08 119.74 117.58 1xsc s LYS 92 Ca 0.00 1.10 -0.29 0.00 -1.56 0.00 0.00 55.97 55.22 1xsc s LYS 92 Cb 0.00 0.09 -0.04 0.00 -1.46 0.00 0.00 37.83 36.43 1xsc s LYS 92 CO 0.00 -0.15 1.51 -1.25 0.16 0.00 0.00 175.35 175.62 1xsc s PRO 93 N 1.58 4.17 -0.24 4.03 0.04 -1.26 -2.60 135.00 140.72 1xsc s PRO 93 Ca -0.10 1.96 -0.08 0.00 0.04 0.00 0.00 61.00 62.82 1xsc s PRO 93 Cb -0.06 -3.91 -0.04 0.00 0.04 0.00 0.00 34.50 30.53 1xsc s PRO 93 CO -0.18 -0.83 0.10 0.15 0.04 0.00 0.00 177.00 176.27 1xsc s LYS 94 N 3.90 3.78 -0.31 4.56 -0.14 0.19 0.68 119.74 132.40 1xsc s LYS 94 Ca 0.67 -0.42 -0.22 0.00 -1.36 0.00 0.00 55.97 54.64 1xsc s LYS 94 Cb -0.29 -3.38 -0.00 0.00 -1.68 0.00 0.00 37.83 32.48 1xsc s LYS 94 CO 0.24 -0.10 0.74 0.99 -0.76 0.00 0.00 175.35 176.46 1xsc s THR 95 N 1.41 4.83 -0.30 2.17 2.01 0.12 -2.99 115.64 122.89 1xsc s THR 95 Ca 0.06 1.03 -0.01 0.00 0.31 0.00 0.00 61.69 63.08 1xsc s THR 95 Cb -0.15 -4.11 0.06 0.00 0.01 0.00 0.00 72.50 68.31 1xsc s THR 95 CO 0.05 -0.24 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.04 1xsc s VAL 96 N 2.86 2.83 -0.12 3.82 1.01 0.83 0.65 120.40 132.28 1xsc s VAL 96 Ca 0.30 -1.52 -0.24 0.00 0.00 0.00 0.00 61.98 60.52 1xsc s VAL 96 Cb -0.14 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 1xsc s VAL 96 CO 0.13 -0.15 0.75 -0.63 0.00 0.00 0.00 175.10 175.19 1xsc s ILE 97 N 1.20 4.98 -0.11 2.22 -1.09 -1.07 0.10 121.20 127.44 1xsc s ILE 97 Ca -0.04 1.49 0.00 0.00 -2.23 0.00 0.00 60.65 59.87 1xsc s ILE 97 Cb -0.20 -4.07 -0.02 0.00 -1.58 0.00 0.00 42.46 36.59 1xsc s ILE 97 CO -0.02 0.14 -0.12 -0.31 -1.23 0.00 0.00 174.94 173.40 1xsc s TYR 98 N 1.47 2.82 -0.01 3.97 2.02 0.48 -0.45 117.35 127.64 1xsc s TYR 98 Ca 0.37 -0.43 0.07 0.00 -0.37 0.00 0.00 57.07 56.70 1xsc s TYR 98 Cb -0.17 -1.79 -0.02 0.00 -0.40 0.00 0.00 41.96 39.57 1xsc s TYR 98 CO 0.15 -0.05 -0.22 -1.58 -1.57 0.00 0.00 175.55 172.28 1xsc s TRP 99 N -0.01 2.46 -0.31 2.71 0.51 -1.21 -3.77 118.94 119.32 1xsc s TRP 99 Ca -0.03 -0.33 -0.29 0.00 -2.12 0.00 0.00 56.10 53.33 1xsc s TRP 99 Cb -0.14 -1.51 0.01 0.00 -0.81 0.00 0.00 33.47 31.02 1xsc s TRP 99 CO 0.04 0.09 1.18 -0.51 -0.51 0.00 0.00 176.95 177.24 1xsc s LEU 100 N -0.86 3.91 0.04 2.99 1.43 -1.26 0.02 118.68 124.95 1xsc s LEU 100 Ca 0.11 1.11 0.07 0.00 -1.03 0.00 0.00 54.13 54.40 1xsc s LEU 100 Cb -0.10 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.55 1xsc s LEU 100 CO 0.01 -0.98 -0.21 0.00 0.23 0.00 0.00 176.35 175.40 1xsc s ALA 101 N 3.99 1.76 -0.19 4.21 0.00 0.12 0.10 121.76 131.75 1xsc s ALA 101 Ca 0.50 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 51.43 1xsc s ALA 101 Cb -0.14 -0.35 0.04 0.00 0.00 0.00 0.00 23.12 22.66 1xsc s ALA 101 CO 0.19 0.40 -0.13 -2.00 0.00 0.00 0.00 175.76 174.22 1xsc s GLU 102 N -1.11 2.29 -0.26 0.00 2.12 -0.65 0.35 118.70 121.44 1xsc s GLU 102 Ca 0.07 -0.83 -0.29 0.00 0.36 0.00 0.00 54.97 54.29 1xsc s GLU 102 Cb -0.09 -2.42 -0.01 0.00 0.26 0.00 0.00 34.13 31.87 1xsc s GLU 102 CO 0.02 -0.36 1.43 0.14 -0.54 0.00 0.00 175.26 175.95 1xsc s VAL 103 N 1.37 3.95 -0.70 3.70 -7.23 -1.25 0.20 120.40 120.44 1xsc s VAL 103 Ca 0.01 1.08 0.11 0.00 -1.81 0.00 0.00 61.98 61.36 1xsc s VAL 103 Cb -0.15 -3.97 0.11 0.00 0.56 0.00 0.00 36.38 32.93 1xsc s VAL 103 CO -0.09 -0.40 1.33 2.29 -0.31 0.00 0.00 175.10 177.92 1xsc n LYS 104 N 7.45 0.06 -4.09 4.82 0.00 -1.04 -4.40 118.16 120.96 1xsc n LYS 104 Ca 0.16 0.51 -0.34 0.00 -0.00 0.00 0.00 58.31 58.64 1xsc n LYS 104 Cb 0.46 -1.68 -0.15 0.00 -0.00 0.00 0.00 35.03 33.66 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 -3.44 3.98 0.01 -5.58 3.68 -1.26 -4.99 116.67 109.07 1xsc s ASP 105 Ca 0.01 -0.44 -0.22 0.00 2.13 0.00 0.00 52.55 54.02 1xsc s ASP 105 Cb 0.04 -1.66 -0.17 0.00 -1.45 0.00 0.00 42.92 39.68 1xsc s ASP 105 CO 0.13 0.01 1.28 1.88 0.13 0.00 0.00 175.17 178.60 1xsc h TYR 106 N 7.85 0.28 -0.16 -5.34 0.05 -1.99 -2.67 116.97 115.00 1xsc h TYR 106 Ca -0.40 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.29 1xsc h TYR 106 Cb 1.16 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.85 1xsc h TYR 106 CO 0.55 0.70 0.00 -0.40 -1.05 0.00 0.00 178.16 177.96 1xsc n ASP 107 N -4.63 1.78 -4.46 3.88 5.75 -1.26 -4.94 116.55 112.67 1xsc n ASP 107 Ca -0.07 -2.15 -0.42 0.00 -0.01 0.00 0.00 54.79 52.13 1xsc n ASP 107 Cb 0.35 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 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 0.12 1.79 -2.11 2.12 3.14 -1.01 -4.88 118.33 117.50 1xsc n VAL 108 Ca 0.07 -0.50 -0.39 0.00 -2.96 0.00 0.00 64.34 60.56 1xsc n VAL 108 Cb 0.37 -0.54 -0.00 0.00 -1.06 0.00 0.00 33.84 32.61 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 -1.52 3.86 -0.33 1.45 1.03 -1.26 -5.01 118.70 116.92 1xsc s GLU 109 Ca 0.63 2.04 0.03 0.00 0.03 0.00 0.00 54.97 57.69 1xsc s GLU 109 Cb -0.64 -2.63 0.10 0.00 -0.80 0.00 0.00 34.13 30.16 1xsc s GLU 109 CO 0.58 -0.54 0.07 0.42 -1.33 0.00 0.00 175.26 174.46 1xsc s ILE 110 N -1.34 1.88 -0.48 1.83 -1.09 -1.24 -4.32 121.20 116.43 1xsc s ILE 110 Ca 0.60 -2.10 -0.14 0.00 -2.23 0.00 0.00 60.65 56.78 1xsc s ILE 110 Cb -0.35 -2.40 0.10 0.00 -1.58 0.00 0.00 42.46 38.23 1xsc s ILE 110 CO 0.44 -0.63 0.39 -0.13 -1.23 0.00 0.00 174.94 173.79 1xsc s ARG 111 N 1.08 2.85 -0.14 2.79 0.52 0.19 -4.88 118.95 121.37 1xsc s ARG 111 Ca 0.11 -1.52 -0.10 0.00 -0.52 0.00 0.00 55.73 53.70 1xsc s ARG 111 Cb -0.19 -4.09 -0.05 0.00 0.52 0.00 0.00 34.95 31.15 1xsc s ARG 111 CO -0.13 -1.12 0.18 -0.51 0.02 0.00 0.00 175.30 173.75 1xsc s LEU 112 N 1.55 4.32 0.00 2.53 1.43 -1.25 -1.44 118.68 125.83 1xsc s LEU 112 Ca 0.04 0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.59 1xsc s LEU 112 Cb -0.26 -2.17 0.00 0.00 0.03 0.00 0.00 46.19 43.80 1xsc s LEU 112 CO 0.04 0.29 0.00 -1.20 0.23 0.00 0.00 176.35 175.71 1xsc n SER 113 N 2.65 -0.03 -0.22 2.29 7.64 -1.26 -4.88 113.62 119.81 1xsc n SER 113 Ca -0.17 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.24 1xsc n SER 113 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1xsc n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xsc n HIS 114 N -1.01 0.00 -0.09 1.43 1.44 -1.26 -3.14 115.22 112.60 1xsc n HIS 114 Ca 0.00 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.60 1xsc n HIS 114 Cb 0.00 -0.04 -0.10 0.00 0.12 0.00 0.00 29.99 29.97 1xsc n HIS 114 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1xsc n GLU 115 N -0.25 0.87 -3.91 -1.40 -0.58 -1.26 -4.91 120.64 109.20 1xsc n GLU 115 Ca 0.00 0.07 -0.35 0.00 -0.42 0.00 0.00 57.16 56.46 1xsc n GLU 115 Cb 0.09 -1.40 -0.14 0.00 -0.57 0.00 0.00 31.44 29.43 1xsc n GLU 115 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1xsc s HIS 116 N -2.39 3.07 -0.69 -0.32 3.76 -1.19 -1.41 115.29 116.13 1xsc s HIS 116 Ca -0.20 -1.36 0.25 0.00 -0.15 0.00 0.00 55.06 53.61 1xsc s HIS 116 Cb 0.06 -2.11 0.46 0.00 1.11 0.00 0.00 32.58 32.10 1xsc s HIS 116 CO 0.53 -0.67 1.42 0.00 -0.85 0.00 0.00 174.74 175.16 1xsc n GLN 117 N 4.73 0.26 -3.49 1.40 10.64 -1.21 -4.39 117.38 125.32 1xsc n GLN 117 Ca -0.16 0.10 -0.16 0.00 -1.83 0.00 0.00 57.00 54.94 1xsc n GLN 117 Cb 0.48 -1.69 -0.05 0.00 -0.86 0.00 0.00 30.24 28.12 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 -3.14 -1.72 0.29 2.61 0.00 -1.25 -5.05 121.76 113.50 1xsc s ALA 118 Ca 0.08 1.06 0.02 0.00 0.00 0.00 0.00 51.96 53.12 1xsc s ALA 118 Cb 0.14 0.27 -0.05 0.00 0.00 0.00 0.00 23.12 23.48 1xsc s ALA 118 CO 0.69 -0.49 0.10 1.52 0.00 0.00 0.00 175.76 177.58 1xsc s TYR 119 N -1.98 1.65 0.15 0.00 1.13 -1.26 0.10 117.35 117.14 1xsc s TYR 119 Ca -0.07 -1.18 -0.20 0.00 -1.41 0.00 0.00 57.07 54.20 1xsc s TYR 119 Cb -0.00 -0.98 0.05 0.00 -1.10 0.00 0.00 41.96 39.93 1xsc s TYR 119 CO 0.03 -0.30 0.52 1.03 -2.51 0.00 0.00 175.55 174.31 1xsc s ARG 120 N -3.94 1.21 -0.26 -3.49 0.52 0.10 -4.90 118.95 108.19 1xsc s ARG 120 Ca 0.36 -0.58 0.02 0.00 -0.52 0.00 0.00 55.73 55.00 1xsc s ARG 120 Cb 0.07 0.54 0.07 0.00 0.52 0.00 0.00 34.95 36.15 1xsc s ARG 120 CO 0.15 -0.51 -0.04 -1.58 0.02 0.00 0.00 175.30 173.34 1xsc s TRP 121 N -3.78 2.72 0.18 -0.53 0.52 -1.26 -0.66 118.94 116.13 1xsc s TRP 121 Ca 0.02 -2.06 -0.01 0.00 0.02 0.00 0.00 56.10 54.08 1xsc s TRP 121 Cb 0.00 -1.86 -0.04 0.00 -1.15 0.00 0.00 33.47 30.42 1xsc s TRP 121 CO -0.12 -0.83 0.10 -0.51 0.02 0.00 0.00 176.95 175.61 1xsc s LEU 122 N 1.28 1.39 0.00 2.99 1.02 -1.03 -4.87 118.68 119.46 1xsc s LEU 122 Ca -0.03 -1.33 0.00 0.00 0.02 0.00 0.00 54.13 52.79 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 -0.08 -0.79 0.00 0.61 0.02 0.00 0.00 176.35 176.11 1xsc n GLY 123 N -0.23 -0.84 0.16 -3.19 0.00 -1.26 0.18 105.19 100.02 1xsc n GLY 123 Ca -0.01 -1.40 -0.21 0.00 0.00 0.00 0.00 46.02 44.41 1xsc n GLY 123 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xsc h LEU 124 N 0.00 0.76 0.02 0.99 5.85 -1.92 -1.90 115.31 119.11 1xsc h LEU 124 Ca 0.00 -0.81 -0.00 0.00 0.84 0.00 0.00 57.88 57.91 1xsc h LEU 124 Cb 0.00 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.79 1xsc h LEU 124 CO 0.00 1.49 -0.01 1.05 -0.34 0.00 0.00 178.44 180.62 1xsc h GLU 125 N 0.12 -0.03 -0.13 1.25 4.11 -1.97 0.83 114.58 118.76 1xsc h GLU 125 Ca -0.15 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.21 1xsc h GLU 125 Cb 1.71 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.96 1xsc h GLU 125 CO 0.19 0.05 -0.21 0.93 0.07 0.00 0.00 179.01 180.04 1xsc h GLU 126 N -0.10 0.38 -0.34 1.06 3.07 -1.92 0.33 114.58 117.06 1xsc h GLU 126 Ca -0.00 -0.23 0.09 0.00 -0.50 0.00 0.00 59.36 58.72 1xsc h GLU 126 Cb 0.09 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 1xsc h GLU 126 CO 0.00 0.82 0.24 0.00 -1.40 0.00 0.00 179.01 178.68 1xsc h ALA 127 N 0.56 2.25 0.04 3.43 0.00 -1.31 0.12 119.26 124.35 1xsc h ALA 127 Ca 0.01 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 1xsc h ALA 127 Cb 0.79 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1xsc h ALA 127 CO 0.05 -0.35 -1.38 0.00 0.00 0.00 0.00 179.25 177.57 1xsc h GLN 129 N 0.02 0.70 0.09 0.00 -0.00 0.21 -3.14 115.11 112.99 1xsc h GLN 129 Ca -0.17 -0.18 -0.22 0.00 -0.00 0.00 0.00 58.65 58.07 1xsc h GLN 129 Cb 1.92 -0.09 0.02 0.00 -0.00 0.00 0.00 27.48 29.34 1xsc h GLN 129 CO 0.13 0.73 -0.93 -0.07 -0.00 0.00 0.00 178.83 178.69 1xsc h LEU 130 N 0.57 0.67 -4.44 0.06 3.38 -1.11 -3.30 115.31 111.14 1xsc h LEU 130 Ca 0.13 -0.84 -0.33 0.00 0.09 0.00 0.00 57.88 56.94 1xsc h LEU 130 Cb 0.36 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1xsc h LEU 130 CO 0.01 1.43 1.06 0.00 0.09 0.00 0.00 178.44 181.03 1xsc n ALA 131 N -2.65 6.28 -0.55 1.53 0.00 -0.76 -3.87 120.51 120.49 1xsc n ALA 131 Ca -0.13 -2.21 0.42 0.00 0.00 0.00 0.00 53.44 51.53 1xsc n ALA 131 Cb 0.84 -2.66 0.67 0.00 0.00 0.00 0.00 19.45 18.30 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 2.95 -0.01 -1.67 0.00 0.00 -1.21 -4.00 117.38 113.44 1xsc n GLN 132 Ca 0.51 0.99 -0.42 0.00 0.00 0.00 0.00 57.00 58.07 1xsc n GLN 132 Cb 0.62 -2.16 -0.03 0.00 0.00 0.00 0.00 30.24 28.67 1xsc n GLN 132 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1xsc n PHE 133 N -3.93 2.53 -0.21 2.61 3.01 -1.26 -4.87 117.46 115.34 1xsc n PHE 133 Ca 0.37 -0.34 -0.03 0.00 1.01 0.00 0.00 57.45 58.46 1xsc n PHE 133 Cb 1.62 -2.79 0.03 0.00 -0.01 0.00 0.00 39.48 38.33 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 10.28 -0.09 -0.74 -1.08 3.64 -1.97 -1.32 116.57 125.29 1xsc h LYS 134 Ca -0.49 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.01 1xsc h LYS 134 Cb 1.24 0.02 -0.13 0.00 -0.41 0.00 0.00 32.23 32.95 1xsc h LYS 134 CO 0.94 -0.06 -0.37 0.93 -2.27 0.00 0.00 179.45 178.62 1xsc h GLU 135 N -0.10 -0.10 -0.25 1.90 3.07 -1.90 0.33 114.58 117.53 1xsc h GLU 135 Ca 0.27 0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 59.05 1xsc h GLU 135 Cb 0.52 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.44 1xsc h GLU 135 CO -0.67 -0.07 -0.20 0.52 -1.40 0.00 0.00 179.01 177.19 1xsc h MET 136 N -0.11 0.44 -0.54 2.33 2.86 -1.58 -1.39 114.93 116.94 1xsc h MET 136 Ca 0.27 -0.14 0.01 0.00 -2.06 0.00 0.00 59.70 57.77 1xsc h MET 136 Cb 0.57 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.16 1xsc h MET 136 CO -0.79 0.62 0.36 0.87 1.06 0.00 0.00 176.91 179.03 1xsc h LYS 137 N 0.40 0.70 0.08 1.72 6.56 0.63 -0.95 116.57 125.71 1xsc h LYS 137 Ca 0.07 -0.04 -0.15 0.00 -1.06 0.00 0.00 60.65 59.47 1xsc h LYS 137 Cb 0.57 -0.16 0.02 0.00 -0.57 0.00 0.00 32.23 32.09 1xsc h LYS 137 CO 0.04 0.47 -0.62 0.00 -2.06 0.00 0.00 179.45 177.27 1xsc h ALA 138 N 1.66 -0.03 -0.01 3.86 0.00 -0.52 -2.16 119.26 122.07 1xsc h ALA 138 Ca 0.20 -0.62 0.03 0.00 0.00 0.00 0.00 54.91 54.52 1xsc h ALA 138 Cb -0.07 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1xsc h ALA 138 CO -0.04 0.30 -0.32 0.00 0.00 0.00 0.00 179.25 179.18 1xsc h ALA 139 N 0.16 -0.47 0.00 0.00 0.00 -0.93 0.89 119.26 118.91 1xsc h ALA 139 Ca -0.10 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1xsc h ALA 139 Cb 1.43 0.57 -0.00 0.00 0.00 0.00 0.00 17.79 19.79 1xsc h ALA 139 CO 0.12 -0.84 -0.14 -0.07 0.00 0.00 0.00 179.25 178.32 1xsc h LEU 140 N -0.47 0.00 0.10 0.00 3.38 -1.31 0.15 115.31 117.16 1xsc h LEU 140 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1xsc h LEU 140 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1xsc h LEU 140 CO -0.27 0.14 -0.05 1.56 0.09 0.00 0.00 178.44 179.91 1xsc h GLN 141 N 0.00 -0.13 -0.03 1.13 1.08 -0.03 -2.80 115.11 114.33 1xsc h GLN 141 Ca -0.00 0.01 -0.12 0.00 -1.45 0.00 0.00 58.65 57.08 1xsc h GLN 141 Cb 0.30 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 1xsc h GLN 141 CO 0.02 0.28 -0.56 0.93 -0.95 0.00 0.00 178.83 178.55 1xsc h GLU 142 N -0.58 0.09 -0.30 1.46 4.39 0.91 -1.87 114.58 118.67 1xsc h GLU 142 Ca -0.01 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.66 1xsc h GLU 142 Cb 0.47 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 1xsc h GLU 142 CO 0.02 0.62 0.14 0.78 -1.16 0.00 0.00 179.01 179.42 1xsc h GLY 143 N 1.59 0.40 1.86 -3.84 0.00 -0.70 0.20 103.07 102.59 1xsc h GLY 143 Ca -0.00 -0.10 -0.17 0.00 0.00 0.00 0.00 47.33 47.06 1xsc h GLY 143 CO 0.08 0.07 -0.76 0.84 0.00 0.00 0.00 176.54 176.77 1xsc h HIS 144 N 0.30 0.18 0.25 5.60 -0.00 -1.45 -2.62 115.15 117.40 1xsc h HIS 144 Ca 0.13 -0.09 -0.01 0.00 -0.00 0.00 0.00 60.37 60.40 1xsc h HIS 144 Cb 0.06 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.44 1xsc h HIS 144 CO -0.11 0.84 -0.12 0.37 -0.00 0.00 0.00 177.93 178.91 1xsc h GLN 145 N 0.08 -0.32 -0.10 5.26 5.75 -0.77 -0.85 115.11 124.16 1xsc h GLN 145 Ca -0.02 0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1xsc h GLN 145 Cb 1.33 0.07 -0.00 0.00 1.07 0.00 0.00 27.48 29.95 1xsc h GLN 145 CO 0.11 -0.06 0.05 0.35 -2.65 0.00 0.00 178.83 176.63 1xsc h PHE 146 N -0.57 0.14 0.00 3.99 3.04 -0.70 -2.41 116.94 120.43 1xsc h PHE 146 Ca -0.03 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.90 1xsc h PHE 146 Cb 0.42 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 38.88 1xsc h PHE 146 CO 0.00 0.19 -0.03 -0.07 -2.02 0.00 0.00 178.31 176.38 1xsc h LEU 147 N 0.04 0.00 -0.42 0.59 3.38 -1.49 0.38 115.31 117.79 1xsc h LEU 147 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1xsc h LEU 147 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1xsc h LEU 147 CO -0.00 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1xsc n SER 149 N -2.64 0.63 0.00 0.00 7.64 0.10 -4.88 113.62 114.48 1xsc n SER 149 Ca 0.03 -0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.65 1xsc n SER 149 Cb 0.39 0.53 0.00 0.00 -1.01 0.00 0.00 64.21 64.12 1xsc n SER 149 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1xsc n ILE 150 N -1.77 0.00 0.00 0.44 5.41 -1.08 -5.11 119.36 117.25 1xsc n ILE 150 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.79 1xsc n ILE 150 Cb 0.39 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.32 1xsc n ILE 150 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1xsc n GLU 151 N 0.00 0.00 -1.19 0.38 4.07 -1.26 -5.01 120.64 117.63 1xsc n GLU 151 Ca 0.00 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.00 1xsc n GLU 151 Cb 0.00 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.34 1xsc n GLU 151 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1xsc n ALA 152 N -1.88 -0.15 -0.48 4.31 0.00 -1.26 -5.11 120.51 115.95 1xsc n ALA 152 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1xsc n ALA 152 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1xsc n ALA 152 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39