#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 2.84 0.21 1.61 0.04 -1.26 -4.95 135.00 133.50 1xsc s PRO 2 Ca 0.00 -0.89 -0.32 0.00 0.04 0.00 0.00 61.00 59.83 1xsc s PRO 2 Cb 0.00 -5.22 -0.11 0.00 0.04 0.00 0.00 34.50 29.21 1xsc s PRO 2 CO 0.00 -3.29 1.68 -0.48 0.04 0.00 0.00 177.00 174.95 1xsc s LEU 3 N 9.01 4.37 0.00 -3.56 0.05 -1.26 -4.26 118.68 123.03 1xsc s LEU 3 Ca 0.64 2.83 0.00 0.00 0.05 0.00 0.00 54.13 57.65 1xsc s LEU 3 Cb -0.03 -3.60 0.00 0.00 -2.05 0.00 0.00 46.19 40.51 1xsc s LEU 3 CO 0.04 -0.94 0.00 0.61 -0.55 0.00 0.00 176.35 175.51 1xsc n GLY 4 N 3.75 0.68 0.00 -3.48 0.00 -1.26 -5.11 105.19 99.77 1xsc n GLY 4 Ca 0.15 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1xsc n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xsc n SER 5 N 0.00 0.00 -4.80 1.61 3.41 -1.26 -5.14 113.62 107.43 1xsc n SER 5 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 1xsc n SER 5 Cb 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.05 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 1.05 1.97 0.32 4.33 -2.45 -1.26 -4.90 119.30 118.36 1xsc s MET 6 Ca 0.00 0.58 0.00 0.00 -1.25 0.00 0.00 55.69 55.02 1xsc s MET 6 Cb 0.00 -1.91 0.00 0.00 1.25 0.00 0.00 34.83 34.17 1xsc s MET 6 CO 0.00 -1.69 0.00 0.00 1.05 0.00 0.00 175.02 174.38 1xsc n ALA 7 N -3.47 -2.11 -2.83 4.11 0.00 -1.26 -4.92 120.51 110.03 1xsc n ALA 7 Ca 0.07 0.48 -0.33 0.00 0.00 0.00 0.00 53.44 53.65 1xsc n ALA 7 Cb 0.57 -0.86 -0.13 0.00 0.00 0.00 0.00 19.45 19.03 1xsc n ALA 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xsc s LEU 8 N -5.99 2.97 -0.23 0.00 1.02 0.40 -4.95 118.68 111.91 1xsc s LEU 8 Ca 0.00 -0.18 -0.29 0.00 0.02 0.00 0.00 54.13 53.68 1xsc s LEU 8 Cb 0.00 -1.67 0.01 0.00 0.02 0.00 0.00 46.19 44.55 1xsc s LEU 8 CO 0.00 0.24 1.06 -0.60 0.02 0.00 0.00 176.35 177.08 1xsc s ARG 9 N -0.10 4.25 0.19 1.70 3.52 -1.26 -0.02 118.95 127.22 1xsc s ARG 9 Ca -0.00 1.38 0.03 0.00 -0.13 0.00 0.00 55.73 57.01 1xsc s ARG 9 Cb -0.13 -3.66 -0.05 0.00 -1.56 0.00 0.00 34.95 29.55 1xsc s ARG 9 CO 0.03 -0.65 -0.03 0.00 -0.81 0.00 0.00 175.30 173.84 1xsc s ALA 10 N 3.25 1.55 -0.24 6.12 0.00 0.17 -0.84 121.76 131.76 1xsc s ALA 10 Ca 0.45 -1.62 -0.10 0.00 0.00 0.00 0.00 51.96 50.69 1xsc s ALA 10 Cb -0.16 0.37 0.10 0.00 0.00 0.00 0.00 23.12 23.43 1xsc s ALA 10 CO 0.07 -0.23 0.55 0.00 0.00 0.00 0.00 175.76 176.16 1xsc s GLY 12 N 2.29 2.65 -0.16 0.00 0.00 0.23 -0.75 107.32 111.59 1xsc s GLY 12 Ca -0.06 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.23 1xsc s GLY 12 CO -0.16 -2.08 -0.12 1.08 0.00 0.00 0.00 173.10 171.81 1xsc s LEU 13 N -3.87 1.83 -0.95 0.66 1.43 -1.16 -3.05 118.68 113.57 1xsc s LEU 13 Ca 0.25 -0.61 -0.23 0.00 -1.03 0.00 0.00 54.13 52.52 1xsc s LEU 13 Cb 0.04 -1.16 0.07 0.00 0.03 0.00 0.00 46.19 45.17 1xsc s LEU 13 CO 0.14 -0.09 1.34 -0.63 0.23 0.00 0.00 176.35 177.33 1xsc s ILE 14 N 1.48 4.09 0.29 -0.59 1.01 0.36 -4.24 121.20 123.60 1xsc s ILE 14 Ca 0.03 -0.78 -0.20 0.00 0.00 0.00 0.00 60.65 59.70 1xsc s ILE 14 Cb -0.14 -4.96 -0.09 0.00 0.01 0.00 0.00 42.46 37.28 1xsc s ILE 14 CO -0.10 -1.81 0.80 -0.63 0.00 0.00 0.00 174.94 173.20 1xsc s ILE 15 N 4.53 4.49 -0.20 2.92 1.01 -1.25 0.64 121.20 133.34 1xsc s ILE 15 Ca 0.41 1.35 -0.08 0.00 0.00 0.00 0.00 60.65 62.33 1xsc s ILE 15 Cb -0.03 -3.80 0.08 0.00 0.01 0.00 0.00 42.46 38.73 1xsc s ILE 15 CO -0.06 0.03 0.43 0.72 0.00 0.00 0.00 174.94 176.07 1xsc s PHE 16 N -1.73 -0.77 -0.40 3.97 -0.12 1.00 -0.81 117.98 119.11 1xsc s PHE 16 Ca 0.50 1.51 -0.27 0.00 -0.05 0.00 0.00 56.93 58.62 1xsc s PHE 16 Cb -0.15 0.32 0.02 0.00 -0.63 0.00 0.00 43.02 42.58 1xsc s PHE 16 CO 0.20 -0.46 0.97 -0.98 -0.05 0.00 0.00 175.22 174.90 1xsc s ARG 17 N 2.30 3.77 -0.35 1.99 1.04 0.20 -3.72 118.95 124.19 1xsc s ARG 17 Ca -0.04 0.52 -0.18 0.00 -1.04 0.00 0.00 55.73 55.00 1xsc s ARG 17 Cb -0.11 -3.84 -0.00 0.00 -2.04 0.00 0.00 34.95 28.95 1xsc s ARG 17 CO -0.13 -1.08 0.49 0.50 -0.04 0.00 0.00 175.30 175.04 1xsc s ARG 18 N 3.71 3.61 0.17 3.89 3.52 -1.26 -2.48 118.95 130.11 1xsc s ARG 18 Ca 0.40 -0.21 -0.02 0.00 -0.13 0.00 0.00 55.73 55.77 1xsc s ARG 18 Cb -0.11 -3.81 -0.05 0.00 -1.56 0.00 0.00 34.95 29.43 1xsc s ARG 18 CO 0.22 -0.62 0.38 0.00 -0.81 0.00 0.00 175.30 174.47 1xsc n LEU 20 N -0.31 0.10 -4.58 0.00 7.94 -1.26 -4.87 117.00 114.02 1xsc n LEU 20 Ca -0.04 0.45 -0.28 0.00 -1.11 0.00 0.00 56.01 55.03 1xsc n LEU 20 Cb 0.53 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.38 1xsc n LEU 20 CO 0.49 0.00 -0.41 0.27 -1.11 0.00 0.00 177.39 176.63 1xsc s ILE 21 N -0.90 3.32 0.63 1.96 -5.25 -1.26 -5.01 121.20 114.70 1xsc s ILE 21 Ca 0.00 -1.45 -0.18 0.00 -0.99 0.00 0.00 60.65 58.03 1xsc s ILE 21 Cb 0.00 -2.60 -0.02 0.00 2.95 0.00 0.00 42.46 42.79 1xsc s ILE 21 CO 0.00 -0.01 1.24 -2.84 -1.79 0.00 0.00 174.94 171.55 1xsc s PRO 22 N -2.55 2.71 0.00 0.37 0.02 -1.26 -5.01 135.00 129.29 1xsc s PRO 22 Ca 0.23 1.91 0.00 0.00 0.02 0.00 0.00 61.00 63.16 1xsc s PRO 22 Cb -0.10 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.54 1xsc s PRO 22 CO 0.15 -1.43 0.00 1.63 -0.33 0.00 0.00 177.00 177.02 1xsc n LYS 23 N -1.85 0.00 0.00 5.54 4.01 -1.26 -4.98 118.16 119.62 1xsc n LYS 23 Ca 0.14 0.17 0.00 0.00 -0.51 0.00 0.00 58.31 58.11 1xsc n LYS 23 Cb 0.49 -0.59 0.00 0.00 -0.51 0.00 0.00 35.03 34.42 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 -1.90 0.00 -2.60 -0.18 0.24 -1.26 -4.99 118.33 107.63 1xsc n VAL 24 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.28 1xsc n VAL 24 Cb 0.00 -0.22 0.05 0.00 -1.47 0.00 0.00 33.84 32.20 1xsc n VAL 24 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1xsc n ASP 25 N -1.90 -0.87 -4.02 -1.34 4.64 -1.26 -5.12 116.55 106.67 1xsc n ASP 25 Ca 0.00 -1.65 -0.30 0.00 -1.38 0.00 0.00 54.79 51.46 1xsc n ASP 25 Cb 0.16 0.52 -0.17 0.00 -1.04 0.00 0.00 41.12 40.59 1xsc n ASP 25 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 1xsc s ASN 26 N -0.50 2.60 0.68 1.67 2.20 -1.26 -5.11 114.94 115.22 1xsc s ASN 26 Ca 0.06 -0.46 -0.17 0.00 -0.94 0.00 0.00 52.86 51.34 1xsc s ASN 26 Cb 0.19 -1.14 -0.13 0.00 -2.00 0.00 0.00 41.25 38.17 1xsc s ASN 26 CO -0.05 -0.04 -0.17 -3.20 -2.94 0.00 0.00 177.10 170.70 1xsc n ASN 27 N 4.63 -3.78 0.03 3.54 5.15 -1.26 -4.57 115.26 119.00 1xsc n ASN 27 Ca -0.17 0.52 -0.04 0.00 -0.60 0.00 0.00 54.58 54.28 1xsc n ASN 27 Cb 0.50 -0.90 0.17 0.00 -0.53 0.00 0.00 39.78 39.02 1xsc n ASN 27 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xsc h ALA 28 N -0.34 1.02 -3.98 5.20 0.00 -1.92 -3.43 119.26 115.81 1xsc h ALA 28 Ca -0.43 -0.39 -0.69 0.00 0.00 0.00 0.00 54.91 53.41 1xsc h ALA 28 Cb 1.39 -0.11 -0.26 0.00 0.00 0.00 0.00 17.79 18.80 1xsc h ALA 28 CO 0.37 0.59 -0.81 0.42 0.00 0.00 0.00 179.25 179.83 1xsc s ILE 29 N -4.33 2.72 -0.05 0.00 1.01 -1.26 -1.00 121.20 118.30 1xsc s ILE 29 Ca -0.06 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.75 1xsc s ILE 29 Cb 0.13 -2.05 0.03 0.00 0.01 0.00 0.00 42.46 40.57 1xsc s ILE 29 CO 0.80 0.57 -0.01 -1.61 0.00 0.00 0.00 174.94 174.69 1xsc s GLU 30 N -0.41 0.55 0.26 2.79 0.41 -1.04 -4.36 118.70 116.90 1xsc s GLU 30 Ca 0.04 0.03 -0.16 0.00 -0.41 0.00 0.00 54.97 54.48 1xsc s GLU 30 Cb -0.12 -0.73 -0.08 0.00 -1.78 0.00 0.00 34.13 31.42 1xsc s GLU 30 CO 0.02 -0.17 0.69 -0.06 -0.49 0.00 0.00 175.26 175.25 1xsc s PHE 31 N 1.28 3.50 0.02 1.61 0.08 0.36 0.62 117.98 125.45 1xsc s PHE 31 Ca -0.06 1.23 -0.26 0.00 0.12 0.00 0.00 56.93 57.96 1xsc s PHE 31 Cb -0.13 -2.52 -0.05 0.00 -0.57 0.00 0.00 43.02 39.75 1xsc s PHE 31 CO -0.02 0.24 0.80 -1.17 -0.10 0.00 0.00 175.22 174.97 1xsc s LEU 32 N -2.48 4.42 -0.02 -0.37 2.96 0.01 -2.20 118.68 121.00 1xsc s LEU 32 Ca 0.48 1.46 0.02 0.00 -0.22 0.00 0.00 54.13 55.86 1xsc s LEU 32 Cb -0.13 -3.28 0.00 0.00 0.50 0.00 0.00 46.19 43.28 1xsc s LEU 32 CO 0.19 -0.05 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.34 1xsc s LEU 33 N 0.25 1.83 -0.30 -0.68 1.43 0.25 -4.39 118.68 117.08 1xsc s LEU 33 Ca 0.41 -0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.41 1xsc s LEU 33 Cb -0.20 -0.40 0.08 0.00 0.03 0.00 0.00 46.19 45.70 1xsc s LEU 33 CO 0.23 0.05 -0.03 -0.76 0.23 0.00 0.00 176.35 176.08 1xsc s LEU 34 N 0.11 3.97 0.25 1.79 1.43 0.07 0.37 118.68 126.67 1xsc s LEU 34 Ca -0.01 -1.74 -0.31 0.00 -1.03 0.00 0.00 54.13 51.03 1xsc s LEU 34 Cb -0.06 -1.54 -0.12 0.00 0.03 0.00 0.00 46.19 44.50 1xsc s LEU 34 CO -0.00 -0.29 1.65 1.67 0.23 0.00 0.00 176.35 179.61 1xsc n GLN 35 N 4.38 2.70 -1.73 1.70 7.27 0.21 -2.78 117.38 129.12 1xsc n GLN 35 Ca -0.05 0.97 -0.42 0.00 0.07 0.00 0.00 57.00 57.56 1xsc n GLN 35 Cb 0.42 -2.78 -0.02 0.00 2.41 0.00 0.00 30.24 30.28 1xsc n GLN 35 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1xsc n ALA 36 N 2.95 2.25 1.81 1.69 0.00 0.26 -3.23 120.51 126.23 1xsc n ALA 36 Ca 0.12 0.38 0.01 0.00 0.00 0.00 0.00 53.44 53.94 1xsc n ALA 36 Cb 0.36 -2.42 0.02 0.00 0.00 0.00 0.00 19.45 17.40 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 2.00 0.27 -1.70 0.00 3.41 0.18 -4.39 113.62 113.40 1xsc n SER 37 Ca 0.08 -2.00 -0.02 0.00 -0.26 0.00 0.00 58.87 56.67 1xsc n SER 37 Cb 0.36 -0.06 0.01 0.00 -0.26 0.00 0.00 64.21 64.26 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 -0.36 -0.66 0.00 4.04 8.00 -1.26 -4.92 116.55 121.38 1xsc n ASP 38 Ca 0.01 -1.40 0.00 0.00 0.71 0.00 0.00 54.79 54.11 1xsc n ASP 38 Cb 0.05 1.09 0.00 0.00 -0.02 0.00 0.00 41.12 42.24 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 -0.22 2.71 0.53 0.44 0.00 -1.26 -1.85 105.19 105.54 1xsc n GLY 39 Ca -0.02 -0.30 0.09 0.00 0.00 0.00 0.00 46.02 45.79 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 0.27 -3.61 -0.61 -5.35 -1.26 -4.93 119.36 103.87 1xsc n ILE 40 Ca 0.00 -0.35 -0.22 0.00 -0.27 0.00 0.00 62.75 61.90 1xsc n ILE 40 Cb 0.00 0.28 0.07 0.00 -1.74 0.00 0.00 39.64 38.24 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 0.29 -2.44 -0.97 4.28 8.25 -0.77 -4.98 115.22 118.88 1xsc n HIS 41 Ca 0.14 0.95 -0.29 0.00 -0.26 0.00 0.00 57.72 58.26 1xsc n HIS 41 Cb 0.29 -4.79 0.23 0.00 1.12 0.00 0.00 29.99 26.84 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 -3.38 0.98 -0.32 4.41 -3.43 -1.26 -4.32 115.29 107.97 1xsc s HIS 42 Ca 0.33 0.73 0.04 0.00 -0.80 0.00 0.00 55.06 55.36 1xsc s HIS 42 Cb -0.15 -3.29 0.09 0.00 -1.43 0.00 0.00 32.58 27.80 1xsc s HIS 42 CO 0.76 -3.71 0.02 -1.58 -2.00 0.00 0.00 174.74 168.23 1xsc s TRP 43 N -2.85 3.64 0.14 0.38 0.52 -1.26 0.89 118.94 120.40 1xsc s TRP 43 Ca 0.69 -2.85 0.08 0.00 0.02 0.00 0.00 56.10 54.03 1xsc s TRP 43 Cb -0.15 -2.71 -0.04 0.00 -1.15 0.00 0.00 33.47 29.42 1xsc s TRP 43 CO 0.58 -0.93 -0.17 0.95 0.02 0.00 0.00 176.95 177.39 1xsc s THR 44 N 0.95 1.65 1.10 2.01 -4.23 -1.12 -4.15 115.64 111.86 1xsc s THR 44 Ca 0.07 -1.80 -0.16 0.00 -1.18 0.00 0.00 61.69 58.62 1xsc s THR 44 Cb -0.19 -1.71 0.24 0.00 1.34 0.00 0.00 72.50 72.18 1xsc s THR 44 CO -0.08 -0.31 1.11 -2.16 -0.54 0.00 0.00 174.62 172.64 1xsc s PRO 45 N -2.63 -0.38 -0.93 3.99 0.04 -1.26 -0.75 135.00 133.08 1xsc s PRO 45 Ca 0.12 0.19 -0.25 0.00 0.04 0.00 0.00 61.00 61.10 1xsc s PRO 45 Cb -0.06 -1.67 -0.13 0.00 0.04 0.00 0.00 34.50 32.68 1xsc s PRO 45 CO 0.05 -3.20 2.17 -2.14 0.04 0.00 0.00 177.00 173.92 1xsc s PRO 46 N -5.21 1.87 0.17 0.56 0.02 -1.26 -4.80 135.00 126.35 1xsc s PRO 46 Ca 0.68 -0.10 -0.03 0.00 0.02 0.00 0.00 61.00 61.58 1xsc s PRO 46 Cb -0.14 -4.95 -0.05 0.00 0.02 0.00 0.00 34.50 29.38 1xsc s PRO 46 CO 0.57 -4.34 0.38 -1.59 -0.33 0.00 0.00 177.00 171.69 1xsc s LYS 47 N 8.03 3.56 0.27 5.54 -2.85 -1.26 -2.98 119.74 130.05 1xsc s LYS 47 Ca 0.82 -0.22 0.06 0.00 -1.00 0.00 0.00 55.97 55.63 1xsc s LYS 47 Cb -0.08 -2.85 -0.02 0.00 -2.06 0.00 0.00 37.83 32.82 1xsc s LYS 47 CO 0.08 0.43 0.22 0.41 0.10 0.00 0.00 175.35 176.59 1xsc n GLY 48 N -0.29 3.15 3.38 0.59 0.00 0.07 -4.86 105.19 107.24 1xsc n GLY 48 Ca -0.04 -1.87 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 1xsc n GLY 48 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1xsc s HIS 49 N -3.07 3.14 -0.12 1.61 2.46 -1.26 -1.21 115.29 116.84 1xsc s HIS 49 Ca 0.31 -0.79 -0.20 0.00 0.47 0.00 0.00 55.06 54.86 1xsc s HIS 49 Cb 0.02 -2.28 -0.04 0.00 -0.13 0.00 0.00 32.58 30.15 1xsc s HIS 49 CO 0.22 -0.51 0.54 0.54 -2.47 0.00 0.00 174.74 173.06 1xsc s VAL 50 N 1.55 5.13 0.27 0.89 0.11 -0.02 -4.92 120.40 123.41 1xsc s VAL 50 Ca 0.04 1.08 -0.06 0.00 -2.93 0.00 0.00 61.98 60.11 1xsc s VAL 50 Cb -0.17 -3.88 -0.06 0.00 -1.53 0.00 0.00 36.38 30.75 1xsc s VAL 50 CO 0.03 0.28 0.55 -0.70 -3.33 0.00 0.00 175.10 171.93 1xsc s GLU 51 N 0.88 3.67 0.29 1.54 2.12 -1.26 -4.46 118.70 121.47 1xsc s GLU 51 Ca 0.29 0.06 0.03 0.00 0.36 0.00 0.00 54.97 55.70 1xsc s GLU 51 Cb -0.16 -2.65 0.70 0.00 0.26 0.00 0.00 34.13 32.28 1xsc s GLU 51 CO 0.12 0.24 1.69 -1.00 -0.54 0.00 0.00 175.26 175.77 1xsc h PRO 52 N 1.90 0.35 0.00 4.30 0.13 -1.97 0.54 132.00 137.25 1xsc h PRO 52 Ca -0.47 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1xsc h PRO 52 Cb 1.18 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1xsc h PRO 52 CO 0.67 0.23 -0.03 0.78 -0.23 0.00 0.00 178.00 179.42 1xsc h GLY 53 N 0.36 0.00 -1.35 1.56 0.00 -2.04 -3.46 103.07 98.14 1xsc h GLY 53 Ca 0.55 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 47.39 1xsc h GLY 53 CO -0.55 0.00 0.28 1.85 0.00 0.00 0.00 176.54 178.12 1xsc s GLU 54 N -3.11 2.93 0.55 4.80 2.12 0.19 -5.08 118.70 121.09 1xsc s GLU 54 Ca 0.10 0.21 -0.07 0.00 0.36 0.00 0.00 54.97 55.58 1xsc s GLU 54 Cb 0.12 -2.17 -0.02 0.00 0.26 0.00 0.00 34.13 32.32 1xsc s GLU 54 CO 0.61 -0.82 0.88 0.34 -0.54 0.00 0.00 175.26 175.72 1xsc s ASP 55 N -4.32 6.05 -0.02 -1.70 2.15 -1.26 -4.68 116.67 112.89 1xsc s ASP 55 Ca 0.55 0.98 -0.07 0.00 0.43 0.00 0.00 52.55 54.44 1xsc s ASP 55 Cb -0.11 -2.14 -0.04 0.00 -0.30 0.00 0.00 42.92 40.33 1xsc s ASP 55 CO 0.48 -0.80 0.48 0.44 -0.17 0.00 0.00 175.17 175.60 1xsc h ASP 56 N -0.03 -0.22 -0.67 -0.34 5.19 -1.98 -3.05 116.42 115.33 1xsc h ASP 56 Ca -0.46 0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 55.92 1xsc h ASP 56 Cb 1.22 0.06 -0.03 0.00 0.18 0.00 0.00 39.33 40.76 1xsc h ASP 56 CO 0.62 0.01 0.25 0.25 -3.12 0.00 0.00 179.24 177.24 1xsc h LEU 57 N -0.60 0.93 -0.69 1.55 5.85 -1.96 -2.84 115.31 117.56 1xsc h LEU 57 Ca -0.03 -0.18 0.14 0.00 0.84 0.00 0.00 57.88 58.66 1xsc h LEU 57 Cb 0.20 -0.24 -0.10 0.00 0.37 0.00 0.00 40.66 40.89 1xsc h LEU 57 CO 0.04 0.86 0.14 -0.33 -0.34 0.00 0.00 178.44 178.82 1xsc h GLU 58 N 0.95 0.24 -0.62 1.25 3.07 -1.98 1.16 114.58 118.65 1xsc h GLU 58 Ca 0.22 -0.01 0.07 0.00 -0.50 0.00 0.00 59.36 59.14 1xsc h GLU 58 Cb 0.23 -0.05 -0.06 0.00 -0.84 0.00 0.00 28.75 28.03 1xsc h GLU 58 CO -0.02 0.16 0.30 1.15 -1.40 0.00 0.00 179.01 179.21 1xsc h THR 59 N 0.25 0.90 -0.00 1.13 2.02 -1.38 1.34 112.91 117.16 1xsc h THR 59 Ca 0.38 -0.19 -0.09 0.00 0.77 0.00 0.00 66.41 67.28 1xsc h THR 59 Cb 0.63 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1xsc h THR 59 CO -0.49 0.10 -0.42 0.00 0.37 0.00 0.00 175.52 175.08 1xsc h ALA 60 N 1.36 1.30 0.08 6.16 0.00 -0.28 -0.32 119.26 127.56 1xsc h ALA 60 Ca 0.29 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xsc h ALA 60 Cb 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xsc h ALA 60 CO -0.22 0.53 -0.04 -0.07 0.00 0.00 0.00 179.25 179.45 1xsc h LEU 61 N 0.01 -0.10 -1.00 0.00 3.38 0.39 -2.24 115.31 115.76 1xsc h LEU 61 Ca -0.00 -0.49 0.03 0.00 0.09 0.00 0.00 57.88 57.50 1xsc h LEU 61 Cb 0.75 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.47 1xsc h LEU 61 CO 0.06 0.51 0.66 -0.09 0.09 0.00 0.00 178.44 179.66 1xsc h ARG 62 N -0.77 1.26 -0.32 1.13 9.65 0.17 -0.58 114.38 124.92 1xsc h ARG 62 Ca -0.01 -0.08 -0.04 0.00 -1.10 0.00 0.00 59.98 58.75 1xsc h ARG 62 Cb 0.59 -0.29 -0.02 0.00 -1.39 0.00 0.00 29.97 28.86 1xsc h ARG 62 CO 0.02 0.84 0.01 0.00 2.80 0.00 0.00 179.97 183.63 1xsc h ALA 63 N 1.39 1.43 0.21 2.80 0.00 -1.10 0.26 119.26 124.25 1xsc h ALA 63 Ca 0.39 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1xsc h ALA 63 Cb -0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1xsc h ALA 63 CO -0.11 0.41 -0.14 1.15 0.00 0.00 0.00 179.25 180.56 1xsc h THR 64 N 0.47 0.71 0.00 0.00 2.02 -0.47 0.91 112.91 116.54 1xsc h THR 64 Ca 0.10 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.23 1xsc h THR 64 Cb 0.29 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1xsc h THR 64 CO 0.01 0.00 -0.23 0.06 0.37 0.00 0.00 175.52 175.73 1xsc h GLN 65 N -0.34 0.00 0.08 6.66 3.07 0.31 1.09 115.11 125.98 1xsc h GLN 65 Ca -0.02 0.00 -0.26 0.00 0.09 0.00 0.00 58.65 58.47 1xsc h GLN 65 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.86 1xsc h GLN 65 CO 0.01 0.23 -1.12 0.93 0.09 0.00 0.00 178.83 178.97 1xsc h GLU 66 N 0.00 0.34 -0.13 0.06 5.08 0.06 0.35 114.58 120.33 1xsc h GLU 66 Ca -0.00 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1xsc h GLU 66 Cb 0.91 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1xsc h GLU 66 CO 0.03 1.18 0.00 0.39 -1.00 0.00 0.00 179.01 179.61 1xsc n GLU 67 N -3.63 1.36 0.00 2.33 1.02 0.31 -3.83 120.64 118.19 1xsc n GLU 67 Ca -0.08 -1.50 0.00 0.00 -0.02 0.00 0.00 57.16 55.56 1xsc n GLU 67 Cb 0.94 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 31.11 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 0.67 0.00 -0.82 0.62 0.00 0.37 -3.60 120.51 117.75 1xsc n ALA 68 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1xsc n ALA 68 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 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 0.47 3.56 0.00 0.00 0.12 -0.59 105.19 108.75 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 -2.34 4.42 0.45 -0.61 1.01 -1.20 -4.74 121.20 118.18 1xsc s ILE 70 Ca 0.00 -0.16 0.07 0.00 0.00 0.00 0.00 60.65 60.55 1xsc s ILE 70 Cb 0.00 -2.99 -0.03 0.00 0.01 0.00 0.00 42.46 39.46 1xsc s ILE 70 CO 0.00 0.45 0.25 -1.83 0.00 0.00 0.00 174.94 173.81 1xsc s GLU 71 N 0.59 2.28 0.49 2.79 1.03 -1.26 0.33 118.70 124.95 1xsc s GLU 71 Ca 0.01 -1.86 0.24 0.00 0.03 0.00 0.00 54.97 53.39 1xsc s GLU 71 Cb -0.13 -2.05 1.29 0.00 -0.80 0.00 0.00 34.13 32.44 1xsc s GLU 71 CO 0.02 -0.25 1.91 0.00 -1.33 0.00 0.00 175.26 175.61 1xsc h ALA 72 N 1.21 2.48 0.00 -0.84 0.00 -1.88 0.98 119.26 121.21 1xsc h ALA 72 Ca -0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 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 0.65 -0.71 0.00 0.41 0.00 0.00 0.00 179.25 179.60 1xsc n GLY 73 N -1.61 -1.11 0.00 0.00 0.00 -1.26 -2.83 105.19 98.37 1xsc n GLY 73 Ca 0.16 -0.11 0.04 0.00 0.00 0.00 0.00 46.02 46.11 1xsc n GLY 73 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1xsc n GLN 74 N -1.32 2.64 -2.29 1.61 7.27 0.32 -5.01 117.38 120.60 1xsc n GLN 74 Ca 0.10 -0.03 -0.03 0.00 0.07 0.00 0.00 57.00 57.11 1xsc n GLN 74 Cb 0.20 -1.00 -0.01 0.00 2.41 0.00 0.00 30.24 31.85 1xsc n GLN 74 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 1xsc n LEU 75 N -1.44 0.00 -3.75 1.69 -0.00 -0.23 0.07 117.00 113.34 1xsc n LEU 75 Ca 0.00 -0.35 -0.30 0.00 -0.00 0.00 0.00 56.01 55.36 1xsc n LEU 75 Cb 0.15 0.06 -0.15 0.00 -0.00 0.00 0.00 43.42 43.49 1xsc n LEU 75 CO 0.16 -0.05 -0.32 -0.89 -0.00 0.00 0.00 177.39 176.29 1xsc s THR 76 N -1.34 1.03 -0.09 1.47 2.01 0.23 -4.75 115.64 114.20 1xsc s THR 76 Ca 0.01 -1.60 -0.30 0.00 0.31 0.00 0.00 61.69 60.11 1xsc s THR 76 Cb 0.00 -1.77 -0.03 0.00 0.01 0.00 0.00 72.50 70.71 1xsc s THR 76 CO 0.00 -0.70 1.33 -0.63 -0.69 0.00 0.00 174.62 173.94 1xsc s ILE 77 N 1.42 4.06 0.06 1.82 -1.09 -1.25 -1.60 121.20 124.62 1xsc s ILE 77 Ca 0.11 1.35 -0.24 0.00 -2.23 0.00 0.00 60.65 59.63 1xsc s ILE 77 Cb -0.18 -3.87 -0.06 0.00 -1.58 0.00 0.00 42.46 36.77 1xsc s ILE 77 CO -0.21 -0.07 0.74 -0.63 -1.23 0.00 0.00 174.94 173.54 1xsc s ILE 78 N 3.05 4.70 0.22 2.92 1.09 0.14 -4.97 121.20 128.35 1xsc s ILE 78 Ca 0.59 1.58 -0.06 0.00 -1.10 0.00 0.00 60.65 61.66 1xsc s ILE 78 Cb -0.26 -4.09 -0.06 0.00 -1.06 0.00 0.00 42.46 36.99 1xsc s ILE 78 CO 0.21 0.40 0.49 -1.61 -0.10 0.00 0.00 174.94 174.33 1xsc s GLU 79 N -0.27 3.69 0.00 2.79 2.02 -1.26 -4.23 118.70 121.44 1xsc s GLU 79 Ca 0.37 0.06 0.00 0.00 0.02 0.00 0.00 54.97 55.42 1xsc s GLU 79 Cb -0.21 -2.72 0.00 0.00 0.10 0.00 0.00 34.13 31.31 1xsc s GLU 79 CO 0.23 0.34 0.00 0.41 0.02 0.00 0.00 175.26 176.26 1xsc n GLY 80 N -0.30 3.28 3.62 -1.39 0.00 -1.26 -5.03 105.19 104.12 1xsc n GLY 80 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 3.26 -0.26 1.61 2.19 -1.26 -5.07 117.98 115.72 1xsc s PHE 81 Ca 0.00 0.09 -0.12 0.00 0.33 0.00 0.00 56.93 57.23 1xsc s PHE 81 Cb 0.00 -2.20 0.10 0.00 -1.31 0.00 0.00 43.02 39.61 1xsc s PHE 81 CO 0.00 0.04 0.61 0.21 1.83 0.00 0.00 175.22 177.91 1xsc s LYS 82 N 0.88 0.58 -0.10 10.12 2.20 -1.26 -4.68 119.74 127.48 1xsc s LYS 82 Ca 0.06 1.24 -0.08 0.00 -0.36 0.00 0.00 55.97 56.83 1xsc s LYS 82 Cb -0.13 0.41 0.03 0.00 -1.51 0.00 0.00 37.83 36.63 1xsc s LYS 82 CO 0.03 -0.18 0.25 0.50 -0.36 0.00 0.00 175.35 175.59 1xsc s ARG 83 N 2.19 0.27 -0.11 4.03 6.06 -1.22 -4.99 118.95 125.18 1xsc s ARG 83 Ca -0.08 0.40 0.03 0.00 -2.50 0.00 0.00 55.73 53.58 1xsc s ARG 83 Cb -0.09 0.08 0.01 0.00 0.06 0.00 0.00 34.95 35.01 1xsc s ARG 83 CO -0.18 -0.07 -0.22 -1.83 -2.50 0.00 0.00 175.30 170.51 1xsc s GLU 84 N 0.41 2.87 -0.31 5.12 1.03 -1.25 0.74 118.70 127.31 1xsc s GLU 84 Ca -0.02 -0.81 -0.18 0.00 0.03 0.00 0.00 54.97 53.99 1xsc s GLU 84 Cb -0.04 -2.26 -0.01 0.00 -0.80 0.00 0.00 34.13 31.02 1xsc s GLU 84 CO -0.02 0.07 0.53 -0.51 -1.33 0.00 0.00 175.26 173.99 1xsc s LEU 85 N 0.62 4.19 -0.21 1.83 1.43 0.27 -4.74 118.68 122.07 1xsc s LEU 85 Ca -0.13 0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 53.17 1xsc s LEU 85 Cb -0.17 -2.64 -0.03 0.00 0.03 0.00 0.00 46.19 43.38 1xsc s LEU 85 CO 0.03 -0.40 0.03 0.20 0.23 0.00 0.00 176.35 176.44 1xsc s ASN 86 N 1.67 5.05 -0.23 2.29 0.02 -1.26 -0.55 114.94 121.92 1xsc s ASN 86 Ca 0.20 -0.16 -0.27 0.00 -1.02 0.00 0.00 52.86 51.61 1xsc s ASN 86 Cb -0.15 -1.88 0.11 0.00 0.02 0.00 0.00 41.25 39.35 1xsc s ASN 86 CO 0.12 0.04 0.97 -0.72 0.02 0.00 0.00 177.10 177.53 1xsc s TYR 87 N 1.13 -0.49 -0.43 2.20 -0.85 -1.22 -4.94 117.35 112.74 1xsc s TYR 87 Ca 0.03 1.08 -0.26 0.00 -0.52 0.00 0.00 57.07 57.41 1xsc s TYR 87 Cb -0.14 0.38 0.02 0.00 0.38 0.00 0.00 41.96 42.60 1xsc s TYR 87 CO 0.02 -0.30 0.94 0.54 -1.52 0.00 0.00 175.55 175.24 1xsc s VAL 88 N -0.23 4.48 0.00 -3.49 0.11 -1.26 -0.76 120.40 119.25 1xsc s VAL 88 Ca 0.00 0.93 0.00 0.00 -2.93 0.00 0.00 61.98 59.98 1xsc s VAL 88 Cb -0.03 -4.42 0.00 0.00 -1.53 0.00 0.00 36.38 30.40 1xsc s VAL 88 CO -0.02 -0.76 0.00 0.00 -3.33 0.00 0.00 175.10 170.99 1xsc n ALA 89 N 7.10 0.00 -0.32 1.54 0.00 -0.94 -4.68 120.51 123.22 1xsc n ALA 89 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.49 1xsc n ALA 89 Cb 0.48 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.04 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 1.07 0.00 0.00 0.11 -2.04 -3.41 114.38 110.11 1xsc h ARG 90 Ca 0.00 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 60.02 1xsc h ARG 90 Cb 0.00 -0.24 0.00 0.00 1.11 0.00 0.00 29.97 30.84 1xsc h ARG 90 CO 0.00 0.71 0.00 0.27 0.10 0.00 0.00 179.97 181.05 1xsc n ASN 91 N -4.53 0.00 -3.66 0.08 0.23 -1.26 -5.14 115.26 100.98 1xsc n ASN 91 Ca 0.10 0.00 -0.07 0.00 -0.53 0.00 0.00 54.58 54.08 1xsc n ASN 91 Cb 0.06 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.68 1xsc n ASN 91 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1xsc s LYS 92 N 0.00 0.49 -0.10 -3.83 2.47 -1.26 -5.08 119.74 112.43 1xsc s LYS 92 Ca 0.00 1.09 -0.29 0.00 -1.56 0.00 0.00 55.97 55.20 1xsc s LYS 92 Cb 0.00 0.27 -0.04 0.00 -1.46 0.00 0.00 37.83 36.60 1xsc s LYS 92 CO 0.00 -0.19 1.49 -1.25 0.16 0.00 0.00 175.35 175.56 1xsc s PRO 93 N 2.02 4.20 -0.26 4.03 0.04 -1.26 -2.21 135.00 141.57 1xsc s PRO 93 Ca -0.07 1.96 -0.07 0.00 0.04 0.00 0.00 61.00 62.86 1xsc s PRO 93 Cb -0.09 -3.89 -0.02 0.00 0.04 0.00 0.00 34.50 30.54 1xsc s PRO 93 CO -0.16 -0.79 0.07 0.21 0.04 0.00 0.00 177.00 176.37 1xsc s LYS 94 N 3.81 3.53 -0.53 4.56 2.20 0.06 0.15 119.74 133.52 1xsc s LYS 94 Ca 0.65 -0.56 -0.27 0.00 -0.36 0.00 0.00 55.97 55.43 1xsc s LYS 94 Cb -0.28 -3.32 0.03 0.00 -1.51 0.00 0.00 37.83 32.75 1xsc s LYS 94 CO 0.23 -0.24 1.08 0.99 -0.36 0.00 0.00 175.35 177.05 1xsc s THR 95 N 1.59 4.22 -0.40 3.43 2.01 0.97 -3.43 115.64 124.03 1xsc s THR 95 Ca 0.06 0.83 -0.11 0.00 0.31 0.00 0.00 61.69 62.77 1xsc s THR 95 Cb -0.15 -4.61 0.05 0.00 0.01 0.00 0.00 72.50 67.80 1xsc s THR 95 CO 0.03 -1.12 0.25 -0.69 -0.69 0.00 0.00 174.62 172.40 1xsc s VAL 96 N 4.42 4.60 -0.04 3.82 1.01 0.28 0.44 120.40 134.93 1xsc s VAL 96 Ca 0.41 -1.03 -0.23 0.00 0.00 0.00 0.00 61.98 61.12 1xsc s VAL 96 Cb -0.09 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1xsc s VAL 96 CO 0.26 -0.36 0.70 -0.63 0.00 0.00 0.00 175.10 175.07 1xsc s ILE 97 N 1.53 4.98 -0.06 2.22 -1.09 -0.98 0.97 121.20 128.77 1xsc s ILE 97 Ca 0.03 1.46 0.04 0.00 -2.23 0.00 0.00 60.65 59.94 1xsc s ILE 97 Cb -0.21 -4.04 -0.02 0.00 -1.58 0.00 0.00 42.46 36.61 1xsc s ILE 97 CO 0.06 0.29 -0.18 -0.31 -1.23 0.00 0.00 174.94 173.57 1xsc s TYR 98 N 0.54 2.62 -0.00 3.97 2.02 0.23 0.77 117.35 127.49 1xsc s TYR 98 Ca 0.37 -0.43 0.06 0.00 -0.37 0.00 0.00 57.07 56.70 1xsc s TYR 98 Cb -0.18 -1.65 -0.02 0.00 -0.40 0.00 0.00 41.96 39.71 1xsc s TYR 98 CO 0.19 -0.02 -0.20 -1.58 -1.57 0.00 0.00 175.55 172.37 1xsc s TRP 99 N -0.35 1.75 0.10 2.71 0.51 -1.17 -3.39 118.94 119.10 1xsc s TRP 99 Ca 0.03 -0.34 -0.30 0.00 -2.12 0.00 0.00 56.10 53.37 1xsc s TRP 99 Cb -0.12 -1.11 -0.06 0.00 -0.81 0.00 0.00 33.47 31.36 1xsc s TRP 99 CO 0.02 -0.01 1.16 -0.51 -0.51 0.00 0.00 176.95 177.10 1xsc s LEU 100 N -0.59 4.41 -0.02 2.99 1.43 -1.25 0.14 118.68 125.78 1xsc s LEU 100 Ca 0.07 2.04 -0.01 0.00 -1.03 0.00 0.00 54.13 55.20 1xsc s LEU 100 Cb -0.08 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.57 1xsc s LEU 100 CO -0.00 -0.38 0.05 0.00 0.23 0.00 0.00 176.35 176.25 1xsc s ALA 101 N 0.57 -0.07 -0.25 4.21 0.00 0.21 0.29 121.76 126.70 1xsc s ALA 101 Ca 0.55 0.25 -0.03 0.00 0.00 0.00 0.00 51.96 52.73 1xsc s ALA 101 Cb -0.29 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.67 1xsc s ALA 101 CO 0.32 -0.06 -0.03 -2.00 0.00 0.00 0.00 175.76 173.98 1xsc s GLU 102 N 0.49 2.95 -0.07 0.00 -6.30 -0.62 0.33 118.70 115.47 1xsc s GLU 102 Ca -0.04 -0.91 -0.30 0.00 -2.50 0.00 0.00 54.97 51.23 1xsc s GLU 102 Cb -0.05 -3.06 -0.04 0.00 0.00 0.00 0.00 34.13 30.98 1xsc s GLU 102 CO -0.02 -0.38 1.39 0.14 0.02 0.00 0.00 175.26 176.41 1xsc s VAL 103 N 1.38 3.93 0.44 3.70 -7.23 -1.24 0.78 120.40 122.16 1xsc s VAL 103 Ca 0.01 1.21 0.34 0.00 -1.81 0.00 0.00 61.98 61.74 1xsc s VAL 103 Cb -0.16 -3.78 0.37 0.00 0.56 0.00 0.00 36.38 33.36 1xsc s VAL 103 CO -0.03 -0.06 2.17 0.11 -0.31 0.00 0.00 175.10 176.97 1xsc h LYS 104 N 8.31 0.00 -4.57 4.82 1.57 -0.67 -3.40 116.57 122.62 1xsc h LYS 104 Ca -0.34 0.00 -0.71 0.00 -1.87 0.00 0.00 60.65 57.73 1xsc h LYS 104 Cb 1.15 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.25 1xsc h LYS 104 CO 0.93 0.05 -0.46 -0.51 -0.57 0.00 0.00 179.45 178.89 1xsc s ASP 105 N -5.75 6.01 0.29 0.86 1.11 -1.26 -4.95 116.67 112.99 1xsc s ASP 105 Ca -0.03 -0.79 0.00 0.00 0.18 0.00 0.00 52.55 51.91 1xsc s ASP 105 Cb 0.12 -2.13 0.52 0.00 1.07 0.00 0.00 42.92 42.51 1xsc s ASP 105 CO 0.52 -0.38 1.89 0.22 1.18 0.00 0.00 175.17 178.59 1xsc h TYR 106 N 8.56 1.09 -0.65 4.23 3.20 -1.99 0.24 116.97 131.64 1xsc h TYR 106 Ca -0.28 0.03 -0.30 0.00 3.14 0.00 0.00 58.73 61.32 1xsc h TYR 106 Cb 1.13 -0.36 -0.18 0.00 1.54 0.00 0.00 36.73 38.86 1xsc h TYR 106 CO 0.58 0.54 0.26 -0.25 -1.64 0.00 0.00 178.16 177.65 1xsc n ASP 107 N -4.52 3.48 -4.46 -2.11 8.00 -1.26 -5.03 116.55 110.65 1xsc n ASP 107 Ca 0.15 -3.56 -0.39 0.00 0.71 0.00 0.00 54.79 51.71 1xsc n ASP 107 Cb 0.24 -0.72 0.03 0.00 -0.02 0.00 0.00 41.12 40.64 1xsc n ASP 107 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1xsc n VAL 108 N -0.91 2.04 -2.38 2.53 3.14 0.07 -4.91 118.33 117.90 1xsc n VAL 108 Ca 0.44 -0.50 -0.38 0.00 -2.96 0.00 0.00 64.34 60.94 1xsc n VAL 108 Cb 1.33 -0.63 -0.03 0.00 -1.06 0.00 0.00 33.84 33.45 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 -1.93 4.16 -0.43 1.45 1.03 -1.26 -5.01 118.70 116.72 1xsc s GLU 109 Ca 0.67 1.75 0.04 0.00 0.03 0.00 0.00 54.97 57.45 1xsc s GLU 109 Cb -0.48 -2.71 0.12 0.00 -0.80 0.00 0.00 34.13 30.26 1xsc s GLU 109 CO 0.56 -0.20 0.16 0.42 -1.33 0.00 0.00 175.26 174.87 1xsc s ILE 110 N -1.44 2.25 -0.60 1.83 -1.09 -1.22 -4.34 121.20 116.58 1xsc s ILE 110 Ca 0.55 -2.75 -0.17 0.00 -2.23 0.00 0.00 60.65 56.06 1xsc s ILE 110 Cb -0.29 -2.61 0.13 0.00 -1.58 0.00 0.00 42.46 38.11 1xsc s ILE 110 CO 0.36 -0.72 0.63 -0.13 -1.23 0.00 0.00 174.94 173.85 1xsc s ARG 111 N 0.36 3.10 0.84 2.79 3.00 0.24 -4.84 118.95 124.43 1xsc s ARG 111 Ca 0.14 -1.64 -0.11 0.00 0.00 0.00 0.00 55.73 54.12 1xsc s ARG 111 Cb -0.23 -4.32 0.13 0.00 0.00 0.00 0.00 34.95 30.54 1xsc s ARG 111 CO -0.05 -1.42 1.18 -0.51 0.00 0.00 0.00 175.30 174.49 1xsc s LEU 112 N 1.91 2.74 0.00 2.53 1.43 -1.24 0.32 118.68 126.38 1xsc s LEU 112 Ca 0.09 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 1xsc s LEU 112 Cb -0.25 -2.62 0.00 0.00 0.03 0.00 0.00 46.19 43.35 1xsc s LEU 112 CO 0.03 -2.19 0.00 -1.54 0.23 0.00 0.00 176.35 172.88 1xsc n SER 113 N -3.35 1.62 -0.23 2.29 3.41 -1.25 -4.80 113.62 111.31 1xsc n SER 113 Ca 0.12 -0.77 -0.05 0.00 -0.26 0.00 0.00 58.87 57.91 1xsc n SER 113 Cb 0.60 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.60 1xsc n SER 113 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1xsc h HIS 114 N 0.62 0.83 0.00 7.33 3.86 -1.99 -1.46 115.15 124.33 1xsc h HIS 114 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1xsc h HIS 114 Cb 0.00 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.19 1xsc h HIS 114 CO 0.00 0.52 0.00 -0.85 0.86 0.00 0.00 177.93 178.46 1xsc n GLU 115 N -4.63 0.26 -4.85 2.45 0.28 -1.26 -4.68 120.64 108.20 1xsc n GLU 115 Ca 0.05 0.12 -0.29 0.00 -0.16 0.00 0.00 57.16 56.88 1xsc n GLU 115 Cb 0.02 -1.50 -0.15 0.00 1.43 0.00 0.00 31.44 31.24 1xsc n GLU 115 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 1xsc s HIS 116 N -2.45 2.21 0.00 -1.84 3.76 -0.55 0.50 115.29 116.92 1xsc s HIS 116 Ca 0.15 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 54.66 1xsc s HIS 116 Cb 0.10 -1.32 0.00 0.00 1.11 0.00 0.00 32.58 32.46 1xsc s HIS 116 CO 0.21 0.12 0.00 0.00 -0.85 0.00 0.00 174.74 174.22 1xsc n GLN 117 N 1.79 2.65 -3.50 1.40 10.64 -1.20 -4.45 117.38 124.72 1xsc n GLN 117 Ca -0.17 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 54.87 1xsc n GLN 117 Cb 0.52 -0.72 -0.04 0.00 -0.86 0.00 0.00 30.24 29.14 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 -1.13 -1.75 0.21 2.61 0.00 -1.26 -5.05 121.76 115.39 1xsc s ALA 118 Ca 0.00 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.02 1xsc s ALA 118 Cb 0.00 0.24 -0.05 0.00 0.00 0.00 0.00 23.12 23.31 1xsc s ALA 118 CO 0.00 -0.54 0.08 1.52 0.00 0.00 0.00 175.76 176.82 1xsc s TYR 119 N -2.31 1.28 0.14 0.00 1.13 -1.26 0.63 117.35 116.96 1xsc s TYR 119 Ca -0.03 -1.20 -0.19 0.00 -1.41 0.00 0.00 57.07 54.24 1xsc s TYR 119 Cb -0.01 -0.71 0.05 0.00 -1.10 0.00 0.00 41.96 40.19 1xsc s TYR 119 CO -0.02 -0.41 0.48 1.03 -2.51 0.00 0.00 175.55 174.12 1xsc s ARG 120 N -4.04 1.15 -0.26 -3.49 0.52 0.16 -4.93 118.95 108.06 1xsc s ARG 120 Ca 0.33 -0.60 0.03 0.00 -0.52 0.00 0.00 55.73 54.97 1xsc s ARG 120 Cb 0.07 0.52 0.06 0.00 0.52 0.00 0.00 34.95 36.12 1xsc s ARG 120 CO 0.10 -0.47 -0.09 -1.58 0.02 0.00 0.00 175.30 173.28 1xsc s TRP 121 N -3.75 3.10 0.19 -0.53 0.52 -1.26 -0.58 118.94 116.63 1xsc s TRP 121 Ca 0.02 -2.24 -0.00 0.00 0.02 0.00 0.00 56.10 53.89 1xsc s TRP 121 Cb 0.01 -1.92 -0.04 0.00 -1.15 0.00 0.00 33.47 30.37 1xsc s TRP 121 CO -0.12 -0.86 0.09 -0.51 0.02 0.00 0.00 176.95 175.57 1xsc s LEU 122 N 1.16 1.50 0.00 2.99 1.02 -0.94 -4.87 118.68 119.53 1xsc s LEU 122 Ca -0.07 -1.32 0.00 0.00 0.02 0.00 0.00 54.13 52.76 1xsc s LEU 122 Cb -0.20 0.24 0.00 0.00 0.02 0.00 0.00 46.19 46.26 1xsc s LEU 122 CO -0.06 -0.76 0.00 0.61 0.02 0.00 0.00 176.35 176.16 1xsc n GLY 123 N -0.27 -0.61 0.15 -3.19 0.00 -1.26 0.14 105.19 100.14 1xsc n GLY 123 Ca -0.01 -1.41 -0.19 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 0.62 -0.15 0.99 5.85 -1.91 -1.73 115.31 118.98 1xsc h LEU 124 Ca 0.00 -0.81 0.01 0.00 0.84 0.00 0.00 57.88 57.92 1xsc h LEU 124 Cb 0.00 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 1xsc h LEU 124 CO 0.00 1.36 0.06 1.05 -0.34 0.00 0.00 178.44 180.58 1xsc h GLU 125 N -0.05 0.14 -0.13 1.25 4.11 -1.98 0.19 114.58 118.12 1xsc h GLU 125 Ca -0.12 -0.01 -0.21 0.00 0.07 0.00 0.00 59.36 59.10 1xsc h GLU 125 Cb 1.53 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.76 1xsc h GLU 125 CO 0.16 0.09 -0.73 0.93 0.07 0.00 0.00 179.01 179.53 1xsc h GLU 126 N 0.14 0.72 0.00 1.06 3.07 -1.92 0.19 114.58 117.84 1xsc h GLU 126 Ca 0.06 -0.60 -0.01 0.00 -0.50 0.00 0.00 59.36 58.31 1xsc h GLU 126 Cb 0.02 0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.06 1xsc h GLU 126 CO -0.05 1.21 -0.06 0.00 -1.40 0.00 0.00 179.01 178.71 1xsc h ALA 127 N 0.51 1.86 0.07 3.43 0.00 -1.19 -0.49 119.26 123.45 1xsc h ALA 127 Ca -0.05 -0.05 -0.28 0.00 0.00 0.00 0.00 54.91 54.52 1xsc h ALA 127 Cb 1.36 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1xsc h ALA 127 CO 0.15 0.07 -1.44 0.00 0.00 0.00 0.00 179.25 178.03 1xsc h GLN 129 N 0.04 0.83 0.06 0.00 -0.00 0.47 -3.09 115.11 113.43 1xsc h GLN 129 Ca -0.20 -0.21 -0.20 0.00 -0.00 0.00 0.00 58.65 58.05 1xsc h GLN 129 Cb 1.96 -0.11 0.02 0.00 -0.00 0.00 0.00 27.48 29.35 1xsc h GLN 129 CO 0.14 0.80 -0.83 -0.07 -0.00 0.00 0.00 178.83 178.87 1xsc h LEU 130 N 0.72 0.62 -4.79 0.06 3.38 -1.26 -3.31 115.31 110.74 1xsc h LEU 130 Ca 0.16 -0.82 -0.55 0.00 0.09 0.00 0.00 57.88 56.76 1xsc h LEU 130 Cb 0.35 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.91 1xsc h LEU 130 CO 0.00 1.37 2.86 0.00 0.09 0.00 0.00 178.44 182.77 1xsc n ALA 131 N -2.63 7.22 -0.39 1.53 0.00 -0.78 -4.00 120.51 121.46 1xsc n ALA 131 Ca -0.12 -3.09 0.34 0.00 0.00 0.00 0.00 53.44 50.56 1xsc n ALA 131 Cb 0.79 -3.13 0.58 0.00 0.00 0.00 0.00 19.45 17.70 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 3.35 -0.04 -1.67 0.00 -0.00 -1.21 -3.81 117.38 114.01 1xsc n GLN 132 Ca 0.70 1.13 -0.49 0.00 -0.00 0.00 0.00 57.00 58.34 1xsc n GLN 132 Cb 0.38 -2.18 -0.05 0.00 -0.00 0.00 0.00 30.24 28.39 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 -4.58 2.26 -0.22 2.61 3.01 -1.26 -4.85 117.46 114.43 1xsc n PHE 133 Ca 0.35 0.03 -0.02 0.00 1.01 0.00 0.00 57.45 58.82 1xsc n PHE 133 Cb 1.33 -2.65 0.04 0.00 -0.01 0.00 0.00 39.48 38.19 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 9.57 -0.08 -0.27 -1.08 3.64 -1.96 0.27 116.57 126.66 1xsc h LYS 134 Ca -0.47 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 58.98 1xsc h LYS 134 Cb 1.28 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 33.04 1xsc h LYS 134 CO 0.96 -0.05 -0.25 1.05 -2.27 0.00 0.00 179.45 178.88 1xsc h GLU 135 N -0.08 -0.24 -0.73 1.90 -0.00 -1.90 0.11 114.58 113.64 1xsc h GLU 135 Ca 0.28 0.02 0.01 0.00 -0.00 0.00 0.00 59.36 59.67 1xsc h GLU 135 Cb 0.53 0.05 -0.04 0.00 -0.00 0.00 0.00 28.75 29.29 1xsc h GLU 135 CO -0.69 -0.16 0.48 0.52 -0.00 0.00 0.00 179.01 179.16 1xsc h MET 136 N -0.25 0.94 -0.46 1.06 2.86 -1.47 0.16 114.93 117.76 1xsc h MET 136 Ca 0.14 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1xsc h MET 136 Cb 0.47 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 1xsc h MET 136 CO -0.41 0.62 0.23 0.87 1.06 0.00 0.00 176.91 179.29 1xsc h LYS 137 N 0.97 0.63 -0.08 1.72 6.56 0.72 -1.80 116.57 125.29 1xsc h LYS 137 Ca 0.27 -0.07 -0.08 0.00 -1.06 0.00 0.00 60.65 59.72 1xsc h LYS 137 Cb -0.08 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 31.46 1xsc h LYS 137 CO -0.06 0.49 -0.27 0.00 -2.06 0.00 0.00 179.45 177.54 1xsc h ALA 138 N 1.62 0.14 -0.67 3.86 0.00 0.16 0.17 119.26 124.54 1xsc h ALA 138 Ca 0.16 -0.41 0.12 0.00 0.00 0.00 0.00 54.91 54.78 1xsc h ALA 138 Cb 0.05 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.74 1xsc h ALA 138 CO -0.02 0.15 0.21 0.00 0.00 0.00 0.00 179.25 179.58 1xsc h ALA 139 N 0.46 0.86 0.00 0.00 0.00 -0.34 0.62 119.26 120.85 1xsc h ALA 139 Ca -0.01 0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 1xsc h ALA 139 Cb 0.90 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1xsc h ALA 139 CO 0.06 -0.26 -0.79 -0.07 0.00 0.00 0.00 179.25 178.18 1xsc h LEU 140 N 0.35 0.00 0.17 0.00 3.38 -1.36 -2.09 115.31 115.76 1xsc h LEU 140 Ca 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 1xsc h LEU 140 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1xsc h LEU 140 CO -0.40 0.79 -0.08 1.56 0.09 0.00 0.00 178.44 180.40 1xsc h GLN 141 N 0.00 -0.22 -0.03 1.13 1.08 0.21 -2.79 115.11 114.49 1xsc h GLN 141 Ca -0.01 0.02 -0.10 0.00 -1.45 0.00 0.00 58.65 57.11 1xsc h GLN 141 Cb 1.43 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.90 1xsc h GLN 141 CO 0.10 0.09 -0.46 0.93 -0.95 0.00 0.00 178.83 178.54 1xsc h GLU 142 N -0.54 0.06 -0.63 1.46 5.08 0.00 -1.77 114.58 118.25 1xsc h GLU 142 Ca -0.02 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.37 1xsc h GLU 142 Cb 0.41 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 1xsc h GLU 142 CO 0.04 0.51 0.32 0.78 -1.00 0.00 0.00 179.01 179.66 1xsc h GLY 143 N 1.36 0.91 1.68 -3.84 0.00 -1.28 0.21 103.07 102.11 1xsc h GLY 143 Ca 0.00 -0.21 -0.24 0.00 0.00 0.00 0.00 47.33 46.88 1xsc h GLY 143 CO 0.06 0.11 -1.07 0.84 0.00 0.00 0.00 176.54 176.48 1xsc h HIS 144 N 0.59 0.43 0.26 5.60 -0.00 -1.36 -2.82 115.15 117.85 1xsc h HIS 144 Ca 0.29 -0.28 -0.01 0.00 -0.00 0.00 0.00 60.37 60.37 1xsc h HIS 144 Cb 0.23 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.61 1xsc h HIS 144 CO -0.10 1.16 -0.12 0.37 -0.00 0.00 0.00 177.93 179.24 1xsc h GLN 145 N 0.11 -0.33 0.04 5.26 5.75 -0.60 0.18 115.11 125.51 1xsc h GLN 145 Ca -0.09 0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.43 1xsc h GLN 145 Cb 1.76 0.08 0.00 0.00 1.07 0.00 0.00 27.48 30.39 1xsc h GLN 145 CO 0.17 -0.16 -0.02 0.35 -2.65 0.00 0.00 178.83 176.53 1xsc h PHE 146 N -0.44 -0.04 -0.62 3.99 3.57 -0.72 -2.66 116.94 120.02 1xsc h PHE 146 Ca -0.04 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.54 1xsc h PHE 146 Cb 0.33 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 1xsc h PHE 146 CO -0.03 0.15 0.41 -0.07 -2.23 0.00 0.00 178.31 176.53 1xsc h LEU 147 N -0.23 0.48 -0.73 0.59 3.38 -1.50 0.14 115.31 117.44 1xsc h LEU 147 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xsc h LEU 147 Cb 0.21 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1xsc h LEU 147 CO 0.01 0.31 0.00 0.00 0.09 0.00 0.00 178.44 178.85 1xsc n SER 149 N -2.69 0.66 0.00 0.00 7.64 0.43 -4.87 113.62 114.79 1xsc n SER 149 Ca 0.02 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.43 1xsc n SER 149 Cb 0.34 0.52 0.00 0.00 -1.01 0.00 0.00 64.21 64.06 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 -1.54 0.00 -0.08 0.44 5.41 -0.90 -5.05 119.36 117.64 1xsc n ILE 150 Ca 0.05 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.63 1xsc n ILE 150 Cb 0.34 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.22 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 0.38 -1.68 0.38 4.07 -1.26 -5.00 120.64 117.53 1xsc n GLU 151 Ca 0.00 0.16 -0.43 0.00 -0.06 0.00 0.00 57.16 56.83 1xsc n GLU 151 Cb 0.00 -1.14 -0.01 0.00 -0.06 0.00 0.00 31.44 30.23 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 -3.89 1.09 0.68 4.31 0.00 -1.26 -5.08 120.51 116.36 1xsc n ALA 152 Ca -0.30 0.38 0.08 0.00 0.00 0.00 0.00 53.44 53.61 1xsc n ALA 152 Cb 0.66 -2.24 0.07 0.00 0.00 0.00 0.00 19.45 17.94 1xsc n ALA 152 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97