#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x1z s ASP 1 N 0.00 0.16 0.25 0.00 1.47 -1.26 -5.04 116.67 112.25 2x1z s ASP 1 Ca 0.00 -1.16 0.05 0.00 1.18 0.00 0.00 52.55 52.62 2x1z s ASP 1 Cb 0.00 0.80 0.30 0.00 -0.34 0.00 0.00 42.92 43.68 2x1z s ASP 1 CO 0.00 -1.57 1.60 -0.33 0.68 0.00 0.00 175.17 175.55 2x1z h GLU 2 N 2.03 0.25 -0.68 2.11 4.39 -2.00 -2.42 114.58 118.25 2x1z h GLU 2 Ca -0.30 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.22 2x1z h GLU 2 Cb 1.25 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.88 2x1z h GLU 2 CO 0.39 0.73 0.34 0.82 -1.16 0.00 0.00 179.01 180.13 2x1z h ILE 3 N 0.19 1.22 -0.48 3.13 2.04 -1.96 0.48 117.51 122.13 2x1z h ILE 3 Ca 0.00 -0.61 0.07 0.00 1.00 0.00 0.00 64.86 65.31 2x1z h ILE 3 Cb 1.03 0.37 -0.06 0.00 -0.74 0.00 0.00 36.82 37.42 2x1z h ILE 3 CO 0.09 0.26 0.16 1.23 0.00 0.00 0.00 178.15 179.89 2x1z h GLY 4 N 0.95 0.63 1.01 5.37 0.00 -1.83 0.10 103.07 109.30 2x1z h GLY 4 Ca 0.24 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 2x1z h GLY 4 CO -0.03 0.00 0.48 -0.55 0.00 0.00 0.00 176.54 176.44 2x1z h ASP 5 N 0.33 0.95 -0.49 0.19 3.32 -1.08 -2.60 116.42 117.05 2x1z h ASP 5 Ca 0.23 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 2x1z h ASP 5 Cb 0.25 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2x1z h ASP 5 CO -0.25 0.74 0.08 0.00 -1.72 0.00 0.00 179.24 178.09 2x1z h ALA 6 N 1.26 1.11 -0.20 3.45 0.00 -0.40 -2.66 119.26 121.82 2x1z h ALA 6 Ca 0.28 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2x1z h ALA 6 Cb -0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2x1z h ALA 6 CO -0.05 0.58 -0.16 0.00 0.00 0.00 0.00 179.25 179.62 2x1z h ALA 7 N 1.26 1.37 -0.42 0.00 0.00 -0.53 0.42 119.26 121.36 2x1z h ALA 7 Ca 0.17 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2x1z h ALA 7 Cb 0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2x1z h ALA 7 CO 0.01 0.43 -0.02 -0.22 0.00 0.00 0.00 179.25 179.45 2x1z h LYS 8 N 0.31 0.75 -0.46 0.00 3.64 -1.12 0.08 116.57 119.76 2x1z h LYS 8 Ca 0.06 -0.25 -0.08 0.00 -1.27 0.00 0.00 60.65 59.11 2x1z h LYS 8 Cb 0.46 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2x1z h LYS 8 CO 0.03 0.84 -0.03 0.87 -2.27 0.00 0.00 179.45 178.89 2x1z h LYS 9 N 0.58 0.77 -0.64 1.90 1.57 -1.27 -2.18 116.57 117.30 2x1z h LYS 9 Ca 0.12 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 2x1z h LYS 9 Cb 0.51 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 2x1z h LYS 9 CO 0.03 0.80 0.24 1.25 -0.57 0.00 0.00 179.45 181.20 2x1z h LEU 10 N 0.72 0.87 -0.62 2.94 5.85 -0.74 -2.45 115.31 121.87 2x1z h LEU 10 Ca 0.14 -0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.62 2x1z h LEU 10 Cb 0.48 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2x1z h LEU 10 CO 0.02 0.79 -0.11 1.23 -0.34 0.00 0.00 178.44 180.03 2x1z h GLY 11 N 1.02 1.05 0.90 3.75 0.00 -0.48 0.12 103.07 109.43 2x1z h GLY 11 Ca 0.22 -0.84 0.07 0.00 0.00 0.00 0.00 47.33 46.78 2x1z h GLY 11 CO -0.02 0.77 0.54 -0.55 0.00 0.00 0.00 176.54 177.28 2x1z h ASP 12 N 0.87 0.79 1.01 0.19 3.32 -1.15 -1.30 116.42 120.14 2x1z h ASP 12 Ca 0.14 0.01 -0.19 0.00 0.02 0.00 0.00 57.03 57.00 2x1z h ASP 12 Cb 0.66 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 2x1z h ASP 12 CO 0.05 0.50 -1.03 0.00 -1.72 0.00 0.00 179.24 177.03 2x1z h ALA 13 N 1.56 0.53 0.00 3.45 0.00 -0.91 -3.41 119.26 120.48 2x1z h ALA 13 Ca 0.36 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2x1z h ALA 13 Cb 0.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2x1z h ALA 13 CO -0.13 1.12 0.00 -1.13 0.00 0.00 0.00 179.25 179.11 2x1z n SER 14 N -3.23 0.33 0.15 0.00 3.41 0.34 -2.98 113.62 111.64 2x1z n SER 14 Ca -0.03 -0.66 0.01 0.00 -0.26 0.00 0.00 58.87 57.93 2x1z n SER 14 Cb 0.90 0.63 0.19 0.00 -0.26 0.00 0.00 64.21 65.67 2x1z n SER 14 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 2x1z h TYR 15 N 0.00 0.00 -0.68 7.33 3.20 -1.45 -1.53 116.97 123.84 2x1z h TYR 15 Ca 0.00 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 2x1z h TYR 15 Cb 0.01 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 2x1z h TYR 15 CO 0.00 0.57 0.42 0.00 -1.64 0.00 0.00 178.16 177.51 2x1z h ALA 16 N 1.43 0.86 -0.44 1.82 0.00 -1.84 -1.16 119.26 119.93 2x1z h ALA 16 Ca -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2x1z h ALA 16 Cb 1.12 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2x1z h ALA 16 CO 0.07 0.32 0.23 0.35 0.00 0.00 0.00 179.25 180.22 2x1z h PHE 17 N 0.92 0.62 -0.47 0.00 3.57 -1.75 -2.76 116.94 117.07 2x1z h PHE 17 Ca 0.24 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 2x1z h PHE 17 Cb -0.05 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.47 2x1z h PHE 17 CO -0.02 0.48 0.18 0.00 -2.23 0.00 0.00 178.31 176.72 2x1z h ALA 18 N 1.08 1.44 0.00 2.41 0.00 -0.51 -0.55 119.26 123.13 2x1z h ALA 18 Ca 0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2x1z h ALA 18 Cb 0.08 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2x1z h ALA 18 CO -0.02 0.43 -0.07 0.87 0.00 0.00 0.00 179.25 180.45 2x1z h LYS 19 N 0.67 0.00 0.00 0.00 1.57 -0.99 -2.98 116.57 114.84 2x1z h LYS 19 Ca 0.16 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.89 2x1z h LYS 19 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2x1z h LYS 19 CO -0.01 0.07 -0.97 0.93 -0.57 0.00 0.00 179.45 178.90 2x1z h GLU 20 N 0.00 0.00 -6.82 3.15 5.08 -0.83 -3.46 114.58 111.70 2x1z h GLU 20 Ca -0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 2x1z h GLU 20 Cb 0.34 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.62 2x1z h GLU 20 CO 0.01 0.10 0.50 0.08 -1.00 0.00 0.00 179.01 178.70 2x1z s VAL 21 N -3.22 3.38 -0.78 3.13 1.01 -1.04 -4.78 120.40 118.10 2x1z s VAL 21 Ca -0.00 1.38 -0.19 0.00 0.00 0.00 0.00 61.98 63.18 2x1z s VAL 21 Cb 0.09 -3.88 0.12 0.00 0.00 0.00 0.00 36.38 32.71 2x1z s VAL 21 CO 0.78 0.33 0.94 -0.62 0.00 0.00 0.00 175.10 176.53 2x1z s ASP 22 N -0.83 6.44 0.07 3.32 2.15 -1.26 -4.82 116.67 121.74 2x1z s ASP 22 Ca 0.45 -1.77 0.16 0.00 0.43 0.00 0.00 52.55 51.83 2x1z s ASP 22 Cb -0.33 -2.35 0.69 0.00 -0.30 0.00 0.00 42.92 40.62 2x1z s ASP 22 CO 0.43 -1.09 1.50 0.79 -0.17 0.00 0.00 175.17 176.63 2x1z n TRP 23 N 6.39 0.23 1.30 -5.34 7.02 -0.37 -1.48 117.44 125.19 2x1z n TRP 23 Ca 0.09 0.09 0.12 0.00 -1.02 0.00 0.00 57.50 56.77 2x1z n TRP 23 Cb 0.46 -0.65 0.42 0.00 -2.42 0.00 0.00 31.31 29.13 2x1z n TRP 23 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 2x1z n ASN 24 N -1.71 1.63 -4.73 -0.99 3.02 -1.25 -4.92 115.26 106.30 2x1z n ASN 24 Ca 0.03 -1.65 -0.42 0.00 -0.03 0.00 0.00 54.58 52.52 2x1z n ASN 24 Cb 0.17 -0.07 -0.03 0.00 -0.61 0.00 0.00 39.78 39.24 2x1z n ASN 24 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2x1z s ASN 25 N -1.70 6.83 0.00 6.41 3.84 -0.55 -4.90 114.94 124.86 2x1z s ASN 25 Ca 0.34 2.40 0.21 0.00 0.21 0.00 0.00 52.86 56.03 2x1z s ASN 25 Cb 0.19 -2.60 0.96 0.00 -0.55 0.00 0.00 41.25 39.25 2x1z s ASN 25 CO 0.28 -0.61 1.69 0.61 -2.79 0.00 0.00 177.10 176.28 2x1z n GLY 26 N 2.91 -1.17 0.36 1.21 0.00 -1.26 -3.60 105.19 103.64 2x1z n GLY 26 Ca 0.09 -0.08 0.18 0.00 0.00 0.00 0.00 46.02 46.21 2x1z n GLY 26 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2x1z h ILE 27 N 0.00 0.72 0.00 -0.61 2.10 -1.97 -2.39 117.51 115.36 2x1z h ILE 27 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 2x1z h ILE 27 Cb 0.32 0.77 0.00 0.00 -1.09 0.00 0.00 36.82 36.82 2x1z h ILE 27 CO 0.00 0.00 0.00 0.49 -1.08 0.00 0.00 178.15 177.56 2x1z n PHE 28 N -4.30 0.71 0.19 2.19 3.72 -1.24 -1.26 117.46 117.47 2x1z n PHE 28 Ca 0.07 0.25 0.06 0.00 -0.05 0.00 0.00 57.45 57.79 2x1z n PHE 28 Cb 0.52 -0.91 0.32 0.00 -0.94 0.00 0.00 39.48 38.46 2x1z n PHE 28 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2x1z h LEU 29 N 0.00 0.00-10.04 4.37 5.85 -1.71 -3.46 115.31 110.32 2x1z h LEU 29 Ca 0.00 0.00 -0.46 0.00 0.84 0.00 0.00 57.88 58.26 2x1z h LEU 29 Cb 0.45 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.48 2x1z h LEU 29 CO 0.00 0.37 0.37 -1.10 -0.34 0.00 0.00 178.44 177.73 2x1z s GLN 30 N -3.54 4.10 0.47 1.25 -1.52 -0.39 -5.01 119.66 115.02 2x1z s GLN 30 Ca 0.01 1.28 -0.24 0.00 -1.95 0.00 0.00 55.36 54.46 2x1z s GLN 30 Cb 0.10 -2.26 -0.08 0.00 -0.22 0.00 0.00 33.01 30.56 2x1z s GLN 30 CO 0.69 -0.16 1.24 0.00 -0.25 0.00 0.00 175.29 176.81 2x1z n ALA 31 N -0.57 1.17 -1.34 6.09 0.00 -1.26 -4.84 120.51 119.76 2x1z n ALA 31 Ca 0.07 0.20 -0.38 0.00 0.00 0.00 0.00 53.44 53.33 2x1z n ALA 31 Cb 0.52 -2.26 -0.02 0.00 0.00 0.00 0.00 19.45 17.69 2x1z n ALA 31 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2x1z n PRO 32 N -0.32 3.07 0.00 0.00 -0.04 -1.26 -4.72 135.00 131.73 2x1z n PRO 32 Ca 0.08 -2.19 0.00 0.00 -0.04 0.00 0.00 63.50 61.36 2x1z n PRO 32 Cb 0.42 -2.90 0.00 0.00 -0.04 0.00 0.00 33.50 30.97 2x1z n PRO 32 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2x1z n GLY 33 N 3.83 0.27 3.71 0.55 0.00 -1.26 -0.29 105.19 112.00 2x1z n GLY 33 Ca 0.64 -1.45 -0.39 0.00 0.00 0.00 0.00 46.02 44.82 2x1z n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x1z s LYS 34 N -0.55 4.40 -0.06 1.61 2.20 -1.26 -5.01 119.74 121.07 2x1z s LYS 34 Ca 0.00 0.79 -0.30 0.00 -0.36 0.00 0.00 55.97 56.10 2x1z s LYS 34 Cb 0.00 -3.46 -0.05 0.00 -1.51 0.00 0.00 37.83 32.81 2x1z s LYS 34 CO 0.00 0.05 1.52 -1.17 -0.36 0.00 0.00 175.35 175.39 2x1z s LEU 35 N 0.89 4.30 -0.52 5.43 0.20 -1.26 -4.95 118.68 122.77 2x1z s LEU 35 Ca 0.35 2.12 0.04 0.00 0.69 0.00 0.00 54.13 57.33 2x1z s LEU 35 Cb -0.17 -3.54 0.17 0.00 -0.43 0.00 0.00 46.19 42.21 2x1z s LEU 35 CO 0.16 -0.85 0.38 -1.10 -0.29 0.00 0.00 176.35 174.65 2x1z s GLN 36 N 3.51 1.51 0.28 1.98 -0.21 -1.26 -5.03 119.66 120.45 2x1z s GLN 36 Ca 0.68 -2.54 0.01 0.00 0.02 0.00 0.00 55.36 53.53 2x1z s GLN 36 Cb -0.31 -2.25 0.54 0.00 1.00 0.00 0.00 33.01 31.99 2x1z s GLN 36 CO 0.26 -1.32 1.84 -1.35 -2.12 0.00 0.00 175.29 172.59 2x1z h PRO 37 N 5.69 0.98 -0.28 2.91 0.11 -1.98 0.15 132.00 139.59 2x1z h PRO 37 Ca 0.19 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 2x1z h PRO 37 Cb 0.85 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 2x1z h PRO 37 CO 0.51 0.65 0.17 -0.07 -0.21 0.00 0.00 178.00 179.04 2x1z h LEU 38 N 1.01 0.33 -0.27 2.35 -0.00 -1.99 0.17 115.31 116.90 2x1z h LEU 38 Ca 0.49 -0.04 -0.19 0.00 -0.00 0.00 0.00 57.88 58.14 2x1z h LEU 38 Cb 0.47 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.05 2x1z h LEU 38 CO -0.26 0.27 -0.59 -0.33 -0.00 0.00 0.00 178.44 177.52 2x1z h GLU 39 N 0.35 0.87 -0.69 1.13 3.07 -1.86 -2.86 114.58 114.60 2x1z h GLU 39 Ca 0.10 -0.58 -0.07 0.00 -0.50 0.00 0.00 59.36 58.31 2x1z h GLU 39 Cb -0.00 0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 27.96 2x1z h GLU 39 CO -0.02 1.21 0.17 0.00 -1.40 0.00 0.00 179.01 178.97 2x1z h ALA 40 N 0.66 0.91 -0.52 3.43 0.00 -0.51 -2.19 119.26 121.04 2x1z h ALA 40 Ca 0.00 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.68 2x1z h ALA 40 Cb 1.21 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2x1z h ALA 40 CO 0.13 0.63 0.34 1.25 0.00 0.00 0.00 179.25 181.60 2x1z h LEU 41 N 1.03 0.56 -0.94 0.00 5.85 -0.55 -0.38 115.31 120.88 2x1z h LEU 41 Ca 0.22 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.83 2x1z h LEU 41 Cb 0.37 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2x1z h LEU 41 CO 0.00 0.40 -0.24 0.11 -0.34 0.00 0.00 178.44 178.37 2x1z h LYS 42 N 0.65 0.49 -0.40 1.25 1.57 -1.20 0.23 116.57 119.17 2x1z h LYS 42 Ca 0.20 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 2x1z h LYS 42 Cb -0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2x1z h LYS 42 CO -0.05 0.70 -0.04 0.00 -0.57 0.00 0.00 179.45 179.49 2x1z h ALA 43 N 1.31 0.54 -0.18 3.86 0.00 -0.70 -2.23 119.26 121.86 2x1z h ALA 43 Ca 0.06 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 2x1z h ALA 43 Cb 0.66 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2x1z h ALA 43 CO 0.05 0.36 -0.41 0.82 0.00 0.00 0.00 179.25 180.06 2x1z h ILE 44 N 0.54 1.31 -0.54 0.00 1.08 -0.74 -1.58 117.51 117.59 2x1z h ILE 44 Ca 0.11 -1.57 0.02 0.00 -0.39 0.00 0.00 64.86 63.03 2x1z h ILE 44 Cb 0.54 1.62 -0.03 0.00 -3.07 0.00 0.00 36.82 35.88 2x1z h ILE 44 CO 0.03 0.48 0.33 -0.78 -0.69 0.00 0.00 178.15 177.53 2x1z h ASP 45 N 0.35 0.55 -0.98 1.72 3.58 -0.39 0.11 116.42 121.38 2x1z h ASP 45 Ca 0.03 -0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.49 2x1z h ASP 45 Cb 0.88 -0.12 -0.05 0.00 1.72 0.00 0.00 39.33 41.76 2x1z h ASP 45 CO 0.07 0.39 0.65 0.11 -2.88 0.00 0.00 179.24 177.58 2x1z h LYS 46 N 0.67 1.27 0.23 0.28 1.79 -0.73 -1.11 116.57 118.96 2x1z h LYS 46 Ca 0.21 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.59 2x1z h LYS 46 Cb -0.01 -0.29 0.00 0.00 -1.58 0.00 0.00 32.23 30.35 2x1z h LYS 46 CO -0.08 0.84 -0.11 0.52 -1.08 0.00 0.00 179.45 179.54 2x1z h MET 47 N 1.30 -0.30 -0.92 3.15 2.86 -0.59 -1.93 114.93 118.51 2x1z h MET 47 Ca 0.36 0.02 0.08 0.00 -2.06 0.00 0.00 59.70 58.10 2x1z h MET 47 Cb -0.12 0.07 -0.07 0.00 0.06 0.00 0.00 31.60 31.54 2x1z h MET 47 CO -0.09 -0.17 0.57 0.82 1.06 0.00 0.00 176.91 179.10 2x1z h ILE 48 N -0.34 1.02 -0.77 -1.22 2.04 -0.33 0.25 117.51 118.15 2x1z h ILE 48 Ca -0.03 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 2x1z h ILE 48 Cb 0.26 -0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.22 2x1z h ILE 48 CO 0.05 0.18 0.43 0.58 0.00 0.00 0.00 178.15 179.39 2x1z h VAL 49 N 1.01 1.23 -0.47 1.67 2.07 -1.18 0.21 116.25 120.80 2x1z h VAL 49 Ca 0.41 -0.56 -0.09 0.00 0.82 0.00 0.00 66.70 67.28 2x1z h VAL 49 Cb 0.24 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 2x1z h VAL 49 CO -0.20 0.25 -0.06 -0.03 0.02 0.00 0.00 177.57 177.55 2x1z h MET 50 N 1.06 0.87 -0.81 1.57 1.85 -0.28 -1.45 114.93 117.75 2x1z h MET 50 Ca 0.27 -0.31 -0.03 0.00 -0.61 0.00 0.00 59.70 59.02 2x1z h MET 50 Cb 0.02 -0.06 -0.04 0.00 0.43 0.00 0.00 31.60 31.95 2x1z h MET 50 CO -0.04 0.95 0.38 0.78 -0.40 0.00 0.00 176.91 178.57 2x1z h GLY 51 N 0.72 1.25 2.00 1.39 0.00 -0.19 -1.12 103.07 107.11 2x1z h GLY 51 Ca 0.13 -0.63 -0.05 0.00 0.00 0.00 0.00 47.33 46.77 2x1z h GLY 51 CO 0.04 0.60 -0.25 0.00 0.00 0.00 0.00 176.54 176.93 2x1z h ALA 52 N 1.20 1.26 0.00 3.60 0.00 -0.77 -2.85 119.26 121.71 2x1z h ALA 52 Ca 0.28 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2x1z h ALA 52 Cb 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2x1z h ALA 52 CO -0.03 0.31 -0.62 0.00 0.00 0.00 0.00 179.25 178.90 2x1z h ALA 53 N 1.75 0.68 -2.36 0.00 0.00 -0.45 -3.48 119.26 115.40 2x1z h ALA 53 Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.40 2x1z h ALA 53 Cb 0.56 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.44 2x1z h ALA 53 CO 0.03 0.00 0.37 0.00 0.00 0.00 0.00 179.25 179.65 2x1z s ALA 54 N -3.30 2.60 0.04 0.00 0.00 -0.50 -4.79 121.76 115.81 2x1z s ALA 54 Ca 0.03 0.32 -0.30 0.00 0.00 0.00 0.00 51.96 52.00 2x1z s ALA 54 Cb 0.08 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.89 2x1z s ALA 54 CO 0.74 -1.15 1.62 0.34 0.00 0.00 0.00 175.76 177.31 2x1z s ASP 55 N -3.10 6.65 0.33 0.00 -1.08 -1.26 -4.89 116.67 113.32 2x1z s ASP 55 Ca 0.62 2.39 0.06 0.00 -0.52 0.00 0.00 52.55 55.10 2x1z s ASP 55 Cb -0.16 -2.56 0.60 0.00 -1.46 0.00 0.00 42.92 39.34 2x1z s ASP 55 CO 0.45 -0.87 1.83 -0.65 0.52 0.00 0.00 175.17 176.45 2x1z h PRO 56 N 8.49 0.38 -0.75 4.34 0.11 -1.93 -0.92 132.00 141.72 2x1z h PRO 56 Ca -0.41 -0.11 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 2x1z h PRO 56 Cb 1.19 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 2x1z h PRO 56 CO 0.93 0.53 0.26 -0.22 -0.21 0.00 0.00 178.00 179.30 2x1z h LYS 57 N 0.35 1.13 -0.09 1.05 3.11 -2.00 -1.11 116.57 119.02 2x1z h LYS 57 Ca 0.06 -0.22 -0.17 0.00 -2.81 0.00 0.00 60.65 57.51 2x1z h LYS 57 Cb 0.49 -0.18 -0.01 0.00 -1.00 0.00 0.00 32.23 31.54 2x1z h LYS 57 CO 0.03 0.94 -0.67 -0.07 -2.81 0.00 0.00 179.45 176.87 2x1z h LEU 58 N 1.10 0.43 -0.51 5.20 3.38 -1.80 -0.85 115.31 122.25 2x1z h LEU 58 Ca 0.25 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2x1z h LEU 58 Cb 0.26 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2x1z h LEU 58 CO -0.01 0.98 0.31 -0.07 0.09 0.00 0.00 178.44 179.74 2x1z h LEU 59 N 0.26 0.61 -0.66 1.67 3.38 -1.03 -0.67 115.31 118.86 2x1z h LEU 59 Ca -0.02 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.92 2x1z h LEU 59 Cb 1.23 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 2x1z h LEU 59 CO 0.11 0.48 0.42 0.50 0.09 0.00 0.00 178.44 180.05 2x1z h LYS 60 N 0.69 0.83 -0.44 1.13 3.64 -0.99 -1.49 116.57 119.93 2x1z h LYS 60 Ca 0.18 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.44 2x1z h LYS 60 Cb -0.02 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 2x1z h LYS 60 CO -0.04 0.55 -0.02 0.00 -2.27 0.00 0.00 179.45 177.67 2x1z h ALA 61 N 1.26 1.14 -0.31 5.00 0.00 -0.92 -0.89 119.26 124.54 2x1z h ALA 61 Ca 0.25 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2x1z h ALA 61 Cb -0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2x1z h ALA 61 CO -0.08 0.55 -0.40 0.00 0.00 0.00 0.00 179.25 179.32 2x1z h ALA 62 N 1.30 0.71 -0.16 0.00 0.00 -0.66 -0.12 119.26 120.34 2x1z h ALA 62 Ca 0.13 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2x1z h ALA 62 Cb 0.45 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2x1z h ALA 62 CO 0.02 0.66 0.09 0.00 0.00 0.00 0.00 179.25 180.03 2x1z h ALA 63 N 0.94 0.20 -0.98 0.00 0.00 -0.92 -2.21 119.26 116.29 2x1z h ALA 63 Ca 0.05 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.97 2x1z h ALA 63 Cb 0.95 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 2x1z h ALA 63 CO 0.09 -0.28 0.64 1.49 0.00 0.00 0.00 179.25 181.18 2x1z h GLU 64 N 0.18 1.16 -0.74 0.00 4.57 -0.96 -0.92 114.58 117.87 2x1z h GLU 64 Ca 0.06 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 2x1z h GLU 64 Cb 0.03 -0.26 -0.03 0.00 -0.16 0.00 0.00 28.75 28.33 2x1z h GLU 64 CO -0.01 0.77 0.33 0.00 -1.18 0.00 0.00 179.01 178.92 2x1z h ALA 65 N 1.43 1.19 -0.30 2.92 0.00 -0.69 -1.34 119.26 122.46 2x1z h ALA 65 Ca 0.41 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 2x1z h ALA 65 Cb 0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2x1z h ALA 65 CO -0.15 0.61 -0.29 0.45 0.00 0.00 0.00 179.25 179.87 2x1z h HIS 66 N 1.06 0.72 -0.58 0.00 3.86 -0.67 -0.83 115.15 118.71 2x1z h HIS 66 Ca 0.25 -0.17 -0.04 0.00 -1.16 0.00 0.00 60.37 59.24 2x1z h HIS 66 Cb 0.15 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 2x1z h HIS 66 CO 0.01 0.85 0.19 1.25 0.86 0.00 0.00 177.93 181.09 2x1z h HIS 67 N 0.54 0.93 -0.71 2.45 6.17 -0.58 -0.73 115.15 123.21 2x1z h HIS 67 Ca 0.07 -0.09 -0.06 0.00 0.71 0.00 0.00 60.37 61.00 2x1z h HIS 67 Cb 0.77 -0.27 -0.03 0.00 2.52 0.00 0.00 27.41 30.40 2x1z h HIS 67 CO 0.03 0.77 0.23 -0.22 0.71 0.00 0.00 177.93 179.45 2x1z h LYS 68 N 0.81 1.11 -0.84 5.26 3.64 -1.15 -2.80 116.57 122.59 2x1z h LYS 68 Ca 0.19 -0.24 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 2x1z h LYS 68 Cb 0.28 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 2x1z h LYS 68 CO -0.01 0.95 0.40 0.00 -2.27 0.00 0.00 179.45 178.52 2x1z h ALA 69 N 1.11 1.11 -0.65 5.00 0.00 -0.80 -1.25 119.26 123.78 2x1z h ALA 69 Ca 0.23 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.02 2x1z h ALA 69 Cb 0.30 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2x1z h ALA 69 CO -0.01 0.67 0.43 0.82 0.00 0.00 0.00 179.25 181.16 2x1z h ILE 70 N 1.21 1.05 0.00 0.00 2.04 -0.89 -2.28 117.51 118.64 2x1z h ILE 70 Ca 0.29 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 2x1z h ILE 70 Cb 0.13 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 2x1z h ILE 70 CO -0.03 0.13 -0.01 1.23 0.00 0.00 0.00 178.15 179.46 2x1z h GLY 71 N 0.71 0.00 -1.83 5.37 0.00 -0.98 -2.98 103.07 103.36 2x1z h GLY 71 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 2x1z h GLY 71 CO -0.08 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.32 2x1z n SER 72 N -3.11 3.86 -4.73 0.19 3.41 -0.86 -4.99 113.62 107.38 2x1z n SER 72 Ca 0.00 -2.65 -0.42 0.00 -0.26 0.00 0.00 58.87 55.54 2x1z n SER 72 Cb 0.28 -0.47 -0.02 0.00 -0.26 0.00 0.00 64.21 63.73 2x1z n SER 72 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2x1z s VAL 73 N -2.18 2.01 0.19 -3.33 1.01 -1.13 -3.61 120.40 113.35 2x1z s VAL 73 Ca 0.39 0.00 -0.11 0.00 0.00 0.00 0.00 61.98 62.27 2x1z s VAL 73 Cb 0.28 -3.00 -0.00 0.00 0.00 0.00 0.00 36.38 33.66 2x1z s VAL 73 CO 0.13 0.00 0.35 -0.94 0.00 0.00 0.00 175.10 174.65 2x1z s SER 74 N 0.89 -0.03 0.00 3.32 1.04 -0.58 -4.95 113.70 113.39 2x1z s SER 74 Ca 0.70 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 56.29 2x1z s SER 74 Cb -0.49 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.11 2x1z s SER 74 CO 0.39 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 174.26 2x1z n GLY 75 N -0.27 -1.24 0.00 7.32 0.00 -1.26 -3.33 105.19 106.40 2x1z n GLY 75 Ca -0.06 -1.56 0.14 0.00 0.00 0.00 0.00 46.02 44.53 2x1z n GLY 75 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2x1z n PRO 76 N -1.08 0.00 -0.01 1.61 -0.04 -1.26 -3.28 135.00 130.94 2x1z n PRO 76 Ca 0.00 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.55 2x1z n PRO 76 Cb 0.00 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.04 2x1z n PRO 76 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2x1z n ASN 77 N -1.50 2.55 -1.15 3.54 4.13 -1.26 -4.94 115.26 116.63 2x1z n ASN 77 Ca 0.07 -1.76 -0.10 0.00 1.68 0.00 0.00 54.58 54.46 2x1z n ASN 77 Cb 0.34 -0.02 -0.01 0.00 -1.54 0.00 0.00 39.78 38.55 2x1z n ASN 77 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2x1z n GLY 78 N 1.02 0.07 3.74 7.41 0.00 -1.21 -1.23 105.19 115.00 2x1z n GLY 78 Ca 0.11 -0.46 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 2x1z n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x1z s VAL 79 N -2.51 4.77 1.02 1.61 0.11 -1.21 -4.72 120.40 119.47 2x1z s VAL 79 Ca 0.00 1.63 -0.12 0.00 -2.93 0.00 0.00 61.98 60.56 2x1z s VAL 79 Cb 0.00 -4.12 0.20 0.00 -1.53 0.00 0.00 36.38 30.93 2x1z s VAL 79 CO 0.00 0.34 1.08 0.28 -3.33 0.00 0.00 175.10 173.47 2x1z s THR 80 N 0.09 2.11 0.73 5.04 -1.32 -1.26 -1.53 115.64 119.50 2x1z s THR 80 Ca 0.39 0.03 -0.14 0.00 -1.21 0.00 0.00 61.69 60.77 2x1z s THR 80 Cb -0.20 -2.45 0.04 0.00 -1.51 0.00 0.00 72.50 68.38 2x1z s THR 80 CO 0.23 -0.05 1.16 -0.94 -2.21 0.00 0.00 174.62 172.81 2x1z s SER 81 N -3.29 4.35 0.24 8.08 1.04 -1.24 -4.79 113.70 118.10 2x1z s SER 81 Ca 0.66 2.17 -0.04 0.00 0.48 0.00 0.00 55.95 59.22 2x1z s SER 81 Cb -0.20 -2.57 0.43 0.00 0.10 0.00 0.00 66.02 63.79 2x1z s SER 81 CO 0.59 -2.15 1.75 -0.09 0.98 0.00 0.00 173.24 174.32 2x1z h ARG 82 N -0.47 0.52 -0.52 4.02 9.65 -1.96 0.16 114.38 125.78 2x1z h ARG 82 Ca -0.46 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.37 2x1z h ARG 82 Cb 1.27 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 29.71 2x1z h ARG 82 CO 0.50 0.34 0.26 0.00 2.80 0.00 0.00 179.97 183.87 2x1z h ALA 83 N 1.51 0.68 -0.03 2.80 0.00 -2.00 -2.04 119.26 120.17 2x1z h ALA 83 Ca 0.40 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 2x1z h ALA 83 Cb 0.55 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2x1z h ALA 83 CO -0.35 0.23 -0.67 -0.44 0.00 0.00 0.00 179.25 178.03 2x1z h ASP 84 N 0.70 0.17 -0.20 0.00 3.32 -1.78 -1.88 116.42 116.75 2x1z h ASP 84 Ca 0.18 -0.11 0.05 0.00 0.02 0.00 0.00 57.03 57.17 2x1z h ASP 84 Cb 0.11 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.56 2x1z h ASP 84 CO -0.02 0.78 -0.15 -0.25 -1.72 0.00 0.00 179.24 177.88 2x1z h TRP 85 N 0.10 -0.38 -0.80 4.55 2.91 -0.50 -1.26 115.95 120.57 2x1z h TRP 85 Ca -0.01 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.02 2x1z h TRP 85 Cb 1.19 0.20 -0.04 0.00 -0.51 0.00 0.00 29.16 30.00 2x1z h TRP 85 CO 0.01 -0.22 0.45 -0.44 -1.03 0.00 0.00 178.44 177.21 2x1z h ASP 86 N -0.16 0.98 -0.10 2.65 5.19 -1.30 -1.36 116.42 122.32 2x1z h ASP 86 Ca 0.12 -0.07 -0.12 0.00 -0.62 0.00 0.00 57.03 56.34 2x1z h ASP 86 Cb 0.33 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.58 2x1z h ASP 86 CO -0.29 0.78 -0.31 0.28 -3.12 0.00 0.00 179.24 176.58 2x1z h SER 87 N 1.11 0.60 -0.03 6.45 0.02 -1.16 -0.48 113.55 120.05 2x1z h SER 87 Ca 0.28 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2x1z h SER 87 Cb 0.01 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.38 2x1z h SER 87 CO -0.05 0.87 0.01 0.58 -1.14 0.00 0.00 176.83 177.10 2x1z h VAL 88 N 0.50 1.19 -0.49 2.27 2.07 -1.08 -1.02 116.25 119.69 2x1z h VAL 88 Ca 0.06 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 2x1z h VAL 88 Cb 0.78 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 2x1z h VAL 88 CO 0.06 0.15 0.27 0.78 0.02 0.00 0.00 177.57 178.86 2x1z h ASN 89 N -0.18 0.61 -0.50 0.57 2.35 -1.07 0.15 115.58 117.52 2x1z h ASN 89 Ca 0.01 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 2x1z h ASN 89 Cb 0.24 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 2x1z h ASN 89 CO 0.00 0.52 0.32 0.00 -1.65 0.00 0.00 177.43 176.62 2x1z h ALA 90 N 1.11 0.63 -0.69 -0.83 0.00 -1.11 0.14 119.26 118.52 2x1z h ALA 90 Ca 0.17 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2x1z h ALA 90 Cb 0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2x1z h ALA 90 CO -0.03 0.10 0.23 0.00 0.00 0.00 0.00 179.25 179.54 2x1z h ALA 91 N 1.17 1.10 -0.24 0.00 0.00 -0.71 -0.84 119.26 119.73 2x1z h ALA 91 Ca 0.18 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2x1z h ALA 91 Cb -0.05 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 2x1z h ALA 91 CO -0.04 0.62 -0.31 -0.07 0.00 0.00 0.00 179.25 179.45 2x1z h LEU 92 N 1.01 0.69 -0.80 0.00 3.38 -0.76 -2.18 115.31 116.65 2x1z h LEU 92 Ca 0.23 -0.50 0.16 0.00 0.09 0.00 0.00 57.88 57.86 2x1z h LEU 92 Cb 0.27 -0.20 -0.10 0.00 0.09 0.00 0.00 40.66 40.72 2x1z h LEU 92 CO -0.01 1.05 0.32 1.23 0.09 0.00 0.00 178.44 181.12 2x1z h GLY 93 N 0.35 1.25 1.00 0.83 0.00 -0.42 -0.68 103.07 105.39 2x1z h GLY 93 Ca 0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.17 2x1z h GLY 93 CO 0.07 -0.14 0.23 3.21 0.00 0.00 0.00 176.54 179.91 2x1z h ARG 94 N 0.43 0.91 -0.28 4.80 3.08 -0.96 -1.00 114.38 121.37 2x1z h ARG 94 Ca 0.45 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 60.35 2x1z h ARG 94 Cb 0.74 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 2x1z h ARG 94 CO -0.44 0.78 0.14 0.28 -1.07 0.00 0.00 179.97 179.66 2x1z h VAL 95 N 0.84 1.00 -0.98 2.04 2.07 -0.70 -2.22 116.25 118.29 2x1z h VAL 95 Ca 0.20 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.62 2x1z h VAL 95 Cb 0.22 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 2x1z h VAL 95 CO -0.01 0.05 0.63 0.40 0.02 0.00 0.00 177.57 178.66 2x1z h ILE 96 N 0.30 1.26 0.00 4.57 1.08 -0.93 -0.48 117.51 123.31 2x1z h ILE 96 Ca 0.11 -0.51 0.00 0.00 -0.39 0.00 0.00 64.86 64.07 2x1z h ILE 96 Cb 0.03 -0.17 0.00 0.00 -3.07 0.00 0.00 36.82 33.62 2x1z h ILE 96 CO -0.08 0.26 0.00 0.00 -0.69 0.00 0.00 178.15 177.64 2x1z h ALA 97 N 1.35 1.00 -0.00 1.87 0.00 -0.96 -2.72 119.26 119.79 2x1z h ALA 97 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2x1z h ALA 97 Cb -0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2x1z h ALA 97 CO -0.07 0.00 -0.09 -1.13 0.00 0.00 0.00 179.25 177.96 2x1z n SER 98 N -2.78 0.49 -4.45 0.00 3.41 -0.19 -4.36 113.62 105.73 2x1z n SER 98 Ca 0.01 -0.66 -0.28 0.00 -0.26 0.00 0.00 58.87 57.68 2x1z n SER 98 Cb 0.27 -0.07 -0.12 0.00 -0.26 0.00 0.00 64.21 64.03 2x1z n SER 98 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2x1z s VAL 99 N -2.41 2.58 0.25 -3.33 -7.23 -1.03 -4.48 120.40 104.75 2x1z s VAL 99 Ca 0.31 -1.76 -0.30 0.00 -1.81 0.00 0.00 61.98 58.41 2x1z s VAL 99 Cb 0.20 -2.21 -0.14 0.00 0.56 0.00 0.00 36.38 34.80 2x1z s VAL 99 CO 0.46 -0.00 1.25 -2.65 -0.31 0.00 0.00 175.10 173.84 2x1z n PRO 100 N 0.55 1.70 -0.29 4.82 -0.02 -1.26 -4.88 135.00 135.62 2x1z n PRO 100 Ca -0.15 0.60 0.20 0.00 -2.02 0.00 0.00 63.50 62.14 2x1z n PRO 100 Cb 0.54 -2.15 0.49 0.00 -0.02 0.00 0.00 33.50 32.37 2x1z n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2x1z h GLU 101 N 3.27 0.42 0.00 -0.52 4.81 -1.96 -1.27 114.58 119.34 2x1z h GLU 101 Ca -0.44 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 58.71 2x1z h GLU 101 Cb 1.31 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 2x1z h GLU 101 CO 0.69 0.28 -0.27 -2.95 -0.73 0.00 0.00 179.01 176.03 2x1z h ASN 102 N 0.44 0.00 0.14 1.04 7.08 -1.99 -0.65 115.58 121.64 2x1z h ASN 102 Ca 0.53 0.00 -0.17 0.00 -3.08 0.00 0.00 56.30 53.58 2x1z h ASN 102 Cb 1.29 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.53 2x1z h ASN 102 CO -0.24 0.27 -0.62 0.24 -2.08 0.00 0.00 177.43 175.00 2x1z h MET 103 N 0.00 0.47 -0.21 4.14 2.86 -1.59 -1.19 114.93 119.41 2x1z h MET 103 Ca -0.00 -0.33 -0.06 0.00 -2.06 0.00 0.00 59.70 57.25 2x1z h MET 103 Cb 0.54 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 2x1z h MET 103 CO 0.04 0.94 -0.10 0.28 1.06 0.00 0.00 176.91 179.13 2x1z h VAL 104 N 0.35 1.30 -0.69 -2.22 2.07 -1.27 -2.83 116.25 112.97 2x1z h VAL 104 Ca -0.01 -1.16 -0.03 0.00 0.82 0.00 0.00 66.70 66.32 2x1z h VAL 104 Cb 1.17 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 32.53 2x1z h VAL 104 CO 0.11 0.35 0.30 -0.03 0.02 0.00 0.00 177.57 178.32 2x1z h MET 105 N 0.14 1.00 -0.82 1.57 1.85 -1.12 -2.31 114.93 115.25 2x1z h MET 105 Ca 0.05 -0.15 0.00 0.00 -0.61 0.00 0.00 59.70 58.99 2x1z h MET 105 Cb 0.59 -0.18 -0.04 0.00 0.43 0.00 0.00 31.60 32.40 2x1z h MET 105 CO 0.03 0.80 0.52 -0.44 -0.40 0.00 0.00 176.91 177.42 2x1z h ASP 106 N 0.98 0.95 0.00 1.39 3.32 -1.13 -0.61 116.42 121.33 2x1z h ASP 106 Ca 0.23 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 2x1z h ASP 106 Cb 0.16 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.47 2x1z h ASP 106 CO -0.02 0.71 -0.00 0.58 -1.72 0.00 0.00 179.24 178.78 2x1z h VAL 107 N 1.11 1.14 -0.76 -1.35 2.07 -1.18 -2.24 116.25 115.04 2x1z h VAL 107 Ca 0.30 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.41 2x1z h VAL 107 Cb -0.10 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 2x1z h VAL 107 CO -0.06 0.11 0.50 0.22 0.02 0.00 0.00 177.57 178.36 2x1z h TYR 108 N -0.18 0.94 -0.44 1.57 3.20 -0.99 -0.49 116.97 120.58 2x1z h TYR 108 Ca -0.00 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.77 2x1z h TYR 108 Cb 0.18 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 2x1z h TYR 108 CO -0.02 0.58 -0.21 -0.44 -1.64 0.00 0.00 178.16 176.43 2x1z h ASP 109 N 1.00 0.91 0.26 -2.11 3.32 -1.16 -0.48 116.42 118.16 2x1z h ASP 109 Ca 0.29 -0.33 -0.19 0.00 0.02 0.00 0.00 57.03 56.82 2x1z h ASP 109 Cb -0.08 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.22 2x1z h ASP 109 CO -0.08 1.09 -0.74 0.28 -1.72 0.00 0.00 179.24 178.07 2x1z h SER 110 N 0.78 0.48 -0.17 6.45 0.02 -0.80 -2.15 113.55 118.16 2x1z h SER 110 Ca 0.11 -0.32 -0.22 0.00 -0.84 0.00 0.00 61.79 60.52 2x1z h SER 110 Cb 0.75 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 63.16 2x1z h SER 110 CO 0.06 1.06 -0.74 0.58 -1.14 0.00 0.00 176.83 176.65 2x1z h VAL 111 N 0.27 1.28 -0.96 2.27 2.07 -1.01 -2.99 116.25 117.18 2x1z h VAL 111 Ca -0.03 -1.94 0.12 0.00 0.82 0.00 0.00 66.70 65.67 2x1z h VAL 111 Cb 1.32 1.95 -0.09 0.00 -1.52 0.00 0.00 31.29 32.96 2x1z h VAL 111 CO 0.13 0.62 0.58 -1.28 0.02 0.00 0.00 177.57 177.63 2x1z h SER 112 N 0.54 0.83 -0.17 0.57 0.87 -0.95 -1.67 113.55 113.56 2x1z h SER 112 Ca -0.05 0.06 0.05 0.00 -1.23 0.00 0.00 61.79 60.62 2x1z h SER 112 Cb 1.37 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 63.22 2x1z h SER 112 CO 0.16 0.42 0.14 0.50 -0.53 0.00 0.00 176.83 177.52 2x1z h LYS 113 N 0.90 0.00 -0.20 2.24 3.64 -1.23 -1.86 116.57 120.06 2x1z h LYS 113 Ca 0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.86 2x1z h LYS 113 Cb 0.52 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2x1z h LYS 113 CO -0.28 0.00 0.00 0.44 -2.27 0.00 0.00 179.45 177.34 2x1z n ILE 114 N -4.29 0.27 -3.62 2.00 -5.35 -0.66 -4.92 119.36 102.79 2x1z n ILE 114 Ca 0.01 -0.63 -0.37 0.00 -0.27 0.00 0.00 62.75 61.48 2x1z n ILE 114 Cb 0.27 1.19 -0.10 0.00 -1.74 0.00 0.00 39.64 39.25 2x1z n ILE 114 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2x1z s THR 115 N -1.57 5.33 0.31 7.28 2.01 -0.70 -4.56 115.64 123.75 2x1z s THR 115 Ca 0.30 0.18 -0.29 0.00 0.31 0.00 0.00 61.69 62.18 2x1z s THR 115 Cb 0.19 -3.52 -0.11 0.00 0.01 0.00 0.00 72.50 69.07 2x1z s THR 115 CO 0.28 0.29 1.51 -0.62 -0.69 0.00 0.00 174.62 175.38 2x1z s ASP 116 N 1.46 6.45 0.55 3.53 -1.08 0.61 -4.89 116.67 123.30 2x1z s ASP 116 Ca 0.07 2.90 0.34 0.00 -0.52 0.00 0.00 52.55 55.35 2x1z s ASP 116 Cb -0.15 -2.64 1.86 0.00 -1.46 0.00 0.00 42.92 40.52 2x1z s ASP 116 CO 0.08 -0.83 2.04 1.55 0.52 0.00 0.00 175.17 178.53 2x1z h PRO 117 N 4.18 0.00 0.00 4.34 0.13 -1.94 -1.22 132.00 137.48 2x1z h PRO 117 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2x1z h PRO 117 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2x1z h PRO 117 CO 0.73 0.00 0.00 0.87 -0.23 0.00 0.00 178.00 179.37 2x1z h LYS 118 N 0.00 0.00 -0.32 0.86 1.57 -1.96 -3.39 116.57 113.33 2x1z h LYS 118 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2x1z h LYS 118 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2x1z h LYS 118 CO 0.00 0.00 0.02 0.28 -0.57 0.00 0.00 179.45 179.18 2x1z h VAL 119 N 0.00 1.25 -0.34 0.50 2.07 -1.56 -1.15 116.25 117.02 2x1z h VAL 119 Ca 0.00 -0.90 0.03 0.00 0.82 0.00 0.00 66.70 66.64 2x1z h VAL 119 Cb 0.71 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 2x1z h VAL 119 CO 0.00 0.30 0.15 -0.65 0.02 0.00 0.00 177.57 177.39 2x1z h PRO 120 N 0.36 0.31 -0.63 1.57 0.11 -1.79 -0.81 132.00 131.14 2x1z h PRO 120 Ca 0.09 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.14 2x1z h PRO 120 Cb 0.41 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.42 2x1z h PRO 120 CO 0.01 0.21 0.21 0.00 -0.21 0.00 0.00 178.00 178.22 2x1z h ALA 121 N 1.19 1.20 -0.07 -0.75 0.00 -1.78 0.17 119.26 119.21 2x1z h ALA 121 Ca 0.14 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2x1z h ALA 121 Cb 0.07 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2x1z h ALA 121 CO -0.11 0.57 0.05 -0.92 0.00 0.00 0.00 179.25 178.83 2x1z h TYR 122 N 0.91 0.09 -0.72 0.00 3.20 -0.67 -0.92 116.97 118.86 2x1z h TYR 122 Ca 0.21 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 2x1z h TYR 122 Cb 0.23 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 2x1z h TYR 122 CO 0.02 0.07 0.40 0.52 -1.64 0.00 0.00 178.16 177.53 2x1z h MET 123 N 0.09 1.00 -0.13 1.82 2.86 -0.82 -2.40 114.93 117.35 2x1z h MET 123 Ca 0.03 -0.11 -0.06 0.00 -2.06 0.00 0.00 59.70 57.50 2x1z h MET 123 Cb 0.00 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 2x1z h MET 123 CO -0.01 0.74 -0.18 -0.22 1.06 0.00 0.00 176.91 178.31 2x1z h LYS 124 N 0.99 0.22 0.00 1.72 3.64 -0.81 -1.69 116.57 120.64 2x1z h LYS 124 Ca 0.26 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2x1z h LYS 124 Cb 0.02 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2x1z h LYS 124 CO -0.04 0.40 0.00 0.66 -2.27 0.00 0.00 179.45 178.20 2x1z h SER 125 N 0.20 0.00 0.70 4.20 4.64 -0.63 -2.32 113.55 120.34 2x1z h SER 125 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2x1z h SER 125 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2x1z h SER 125 CO 0.03 0.00 -0.35 0.18 -0.87 0.00 0.00 176.83 175.81 2x1z n LEU 126 N -2.70 0.38 0.00 5.97 4.77 -0.64 -4.92 117.00 119.86 2x1z n LEU 126 Ca -0.00 0.18 -0.27 0.00 -0.03 0.00 0.00 56.01 55.89 2x1z n LEU 126 Cb 0.17 -0.32 -0.06 0.00 -2.33 0.00 0.00 43.42 40.88 2x1z n LEU 126 CO 0.20 0.07 -0.19 1.33 -1.33 0.00 0.00 177.39 177.47 2x1z n VAL 127 N -1.57 0.00 -2.37 4.08 0.24 -0.87 -4.89 118.33 112.95 2x1z n VAL 127 Ca 0.06 -2.15 -0.43 0.00 -2.04 0.00 0.00 64.34 59.78 2x1z n VAL 127 Cb 0.35 0.56 -0.02 0.00 -1.47 0.00 0.00 33.84 33.26 2x1z n VAL 127 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2x1z s ASN 128 N -3.41 6.75 0.32 -1.34 3.84 -1.26 -4.92 114.94 114.92 2x1z s ASN 128 Ca 0.07 1.48 0.01 0.00 0.21 0.00 0.00 52.86 54.63 2x1z s ASN 128 Cb 0.00 -2.54 0.54 0.00 -0.55 0.00 0.00 41.25 38.71 2x1z s ASN 128 CO 0.05 -0.97 1.96 1.23 -2.79 0.00 0.00 177.10 176.59 2x1z h GLY 129 N 10.49 0.95 1.06 1.21 0.00 -1.96 -0.61 103.07 114.20 2x1z h GLY 129 Ca -0.27 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 46.58 2x1z h GLY 129 CO 1.00 0.38 0.08 0.00 0.00 0.00 0.00 176.54 178.01 2x1z h ALA 130 N 1.52 0.84 -0.22 3.60 0.00 -1.96 0.00 119.26 123.03 2x1z h ALA 130 Ca 0.23 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2x1z h ALA 130 Cb -0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2x1z h ALA 130 CO -0.04 0.61 -0.24 -0.44 0.00 0.00 0.00 179.25 179.14 2x1z h ASP 131 N 0.96 0.41 -0.48 0.00 3.32 -1.77 -1.31 116.42 117.55 2x1z h ASP 131 Ca 0.19 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 2x1z h ASP 131 Cb 0.46 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 2x1z h ASP 131 CO 0.02 0.66 -0.02 0.00 -1.72 0.00 0.00 179.24 178.18 2x1z h ALA 132 N 1.38 0.65 -0.63 3.45 0.00 -0.64 -1.05 119.26 122.43 2x1z h ALA 132 Ca 0.06 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 2x1z h ALA 132 Cb 0.63 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2x1z h ALA 132 CO 0.04 0.47 0.22 0.93 0.00 0.00 0.00 179.25 180.92 2x1z h GLU 133 N 0.72 0.96 -0.74 0.00 5.08 -0.77 -0.77 114.58 119.05 2x1z h GLU 133 Ca 0.13 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2x1z h GLU 133 Cb 0.54 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2x1z h GLU 133 CO 0.03 0.83 0.32 0.87 -1.00 0.00 0.00 179.01 180.06 2x1z h LYS 134 N 0.89 1.08 -0.54 2.33 1.57 -1.12 -0.46 116.57 120.33 2x1z h LYS 134 Ca 0.21 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2x1z h LYS 134 Cb 0.25 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2x1z h LYS 134 CO -0.01 0.86 0.27 0.00 -0.57 0.00 0.00 179.45 180.00 2x1z h ALA 135 N 1.28 0.70 -0.43 3.86 0.00 -0.79 0.14 119.26 124.01 2x1z h ALA 135 Ca 0.25 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2x1z h ALA 135 Cb 0.17 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2x1z h ALA 135 CO -0.03 0.25 0.07 -0.92 0.00 0.00 0.00 179.25 178.63 2x1z h TYR 136 N 0.73 0.76 -0.51 0.00 3.20 -0.96 0.84 116.97 121.03 2x1z h TYR 136 Ca 0.19 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 2x1z h TYR 136 Cb 0.11 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 2x1z h TYR 136 CO -0.01 0.73 0.26 0.93 -1.64 0.00 0.00 178.16 178.43 2x1z h GLU 137 N 0.57 0.70 -0.03 1.82 5.08 -0.80 -0.71 114.58 121.20 2x1z h GLU 137 Ca 0.13 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2x1z h GLU 137 Cb 0.38 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2x1z h GLU 137 CO 0.01 0.53 -0.07 0.78 -1.00 0.00 0.00 179.01 179.26 2x1z h GLY 138 N 0.80 -0.04 0.46 -3.84 0.00 0.12 -2.34 103.07 98.23 2x1z h GLY 138 Ca 0.18 0.08 0.09 0.00 0.00 0.00 0.00 47.33 47.67 2x1z h GLY 138 CO -0.03 -0.08 0.27 -2.75 0.00 0.00 0.00 176.54 173.96 2x1z h PHE 139 N -0.10 0.48 -0.84 5.60 3.57 -0.08 -0.99 116.94 124.57 2x1z h PHE 139 Ca 0.04 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.58 2x1z h PHE 139 Cb 0.15 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 2x1z h PHE 139 CO -0.15 0.16 0.55 -0.07 -2.23 0.00 0.00 178.31 176.57 2x1z h LEU 140 N 0.48 0.95 -0.73 0.59 3.38 -0.90 0.18 115.31 119.25 2x1z h LEU 140 Ca 0.31 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.19 2x1z h LEU 140 Cb 0.34 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2x1z h LEU 140 CO -0.27 0.68 0.17 0.00 0.09 0.00 0.00 178.44 179.11 2x1z h ALA 141 N 1.31 0.96 -0.45 1.53 0.00 -0.87 -2.98 119.26 118.76 2x1z h ALA 141 Ca 0.31 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2x1z h ALA 141 Cb -0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 2x1z h ALA 141 CO -0.07 0.67 -0.02 0.35 0.00 0.00 0.00 179.25 180.17 2x1z h PHE 142 N 1.07 0.89 0.00 0.00 3.57 -0.41 -2.77 116.94 119.29 2x1z h PHE 142 Ca 0.22 -0.16 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 2x1z h PHE 142 Cb 0.37 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 2x1z h PHE 142 CO 0.03 0.87 -0.22 1.57 -2.23 0.00 0.00 178.31 178.33 2x1z h LYS 143 N 0.65 0.00 -0.64 1.11 5.09 -0.99 -1.24 116.57 120.55 2x1z h LYS 143 Ca 0.13 0.00 -0.04 0.00 0.09 0.00 0.00 60.65 60.83 2x1z h LYS 143 Cb 0.52 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 32.82 2x1z h LYS 143 CO 0.03 0.22 0.26 -0.44 -2.09 0.00 0.00 179.45 177.42 2x1z h ASP 144 N 0.00 0.85 -0.24 7.07 3.32 -1.33 -0.04 116.42 126.05 2x1z h ASP 144 Ca -0.00 -0.12 -0.10 0.00 0.02 0.00 0.00 57.03 56.84 2x1z h ASP 144 Cb 0.67 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 2x1z h ASP 144 CO 0.03 0.76 -0.23 0.58 -1.72 0.00 0.00 179.24 178.67 2x1z h VAL 145 N 0.92 1.32 -0.45 -1.35 2.07 -1.34 -2.86 116.25 114.56 2x1z h VAL 145 Ca 0.22 -1.39 0.08 0.00 0.82 0.00 0.00 66.70 66.43 2x1z h VAL 145 Cb 0.18 1.68 -0.07 0.00 -1.52 0.00 0.00 31.29 31.56 2x1z h VAL 145 CO -0.02 0.43 0.02 0.58 0.02 0.00 0.00 177.57 178.61 2x1z h VAL 146 N 0.27 0.68 -0.13 2.57 2.07 -1.16 -2.38 116.25 118.18 2x1z h VAL 146 Ca 0.04 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 2x1z h VAL 146 Cb 0.78 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2x1z h VAL 146 CO 0.06 0.03 -0.12 0.50 0.02 0.00 0.00 177.57 178.06 2x1z h LYS 147 N 0.14 0.20 0.00 1.57 3.64 -0.98 -1.89 116.57 119.25 2x1z h LYS 147 Ca 0.22 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2x1z h LYS 147 Cb 0.32 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2x1z h LYS 147 CO -0.35 0.33 0.00 0.87 -2.27 0.00 0.00 179.45 178.03 2x1z h LYS 148 N 0.19 0.00 -0.02 1.90 1.57 -1.20 -2.44 116.57 116.58 2x1z h LYS 148 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2x1z h LYS 148 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2x1z h LYS 148 CO 0.02 0.00 -0.10 0.43 -0.57 0.00 0.00 179.45 179.23 2x1z n SER 149 N -2.59 1.68 -0.94 0.86 7.64 -0.73 -5.11 113.62 114.43 2x1z n SER 149 Ca 0.03 -1.44 0.12 0.00 1.01 0.00 0.00 58.87 58.59 2x1z n SER 149 Cb 0.36 0.07 0.10 0.00 -1.01 0.00 0.00 64.21 63.73 2x1z n SER 149 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70