#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d21 n ASN 25 N 0.00 3.29 -4.59 1.61 3.02 -1.26 -4.84 115.26 112.49 3d21 n ASN 25 Ca 0.00 -2.19 -0.36 0.00 -0.03 0.00 0.00 54.58 52.00 3d21 n ASN 25 Cb 0.00 -0.33 -0.11 0.00 -0.61 0.00 0.00 39.78 38.74 3d21 n ASN 25 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3d21 s VAL 26 N -1.34 4.97 -0.21 2.41 1.01 -1.26 -4.17 120.40 121.81 3d21 s VAL 26 Ca 0.30 0.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.23 3d21 s VAL 26 Cb 0.18 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 3d21 s VAL 26 CO 0.17 0.35 0.14 -1.00 0.00 0.00 0.00 175.10 174.76 3d21 s HIS 27 N 1.15 3.37 -0.04 5.22 3.76 -0.37 -4.98 115.29 123.39 3d21 s HIS 27 Ca 0.06 0.27 -0.25 0.00 -0.15 0.00 0.00 55.06 55.00 3d21 s HIS 27 Cb -0.14 -2.20 -0.04 0.00 1.11 0.00 0.00 32.58 31.31 3d21 s HIS 27 CO 0.05 0.20 0.76 -1.17 -0.85 0.00 0.00 174.74 173.72 3d21 s LEU 28 N 0.63 4.34 -0.20 0.89 2.96 -1.26 -0.14 118.68 125.90 3d21 s LEU 28 Ca 0.08 1.31 -0.02 0.00 -0.22 0.00 0.00 54.13 55.27 3d21 s LEU 28 Cb -0.12 -3.20 -0.00 0.00 0.50 0.00 0.00 46.19 43.37 3d21 s LEU 28 CO 0.01 -0.13 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.18 3d21 s ILE 29 N 0.76 2.97 0.00 6.68 -1.09 -0.03 -4.95 121.20 125.55 3d21 s ILE 29 Ca 0.41 -0.64 0.00 0.00 -2.23 0.00 0.00 60.65 58.19 3d21 s ILE 29 Cb -0.19 -2.32 0.00 0.00 -1.58 0.00 0.00 42.46 38.38 3d21 s ILE 29 CO 0.21 0.47 0.00 0.35 -1.23 0.00 0.00 174.94 174.73 3d21 n THR 30 N 4.57 0.00 -5.24 2.92 -2.24 -1.26 -2.77 114.28 110.26 3d21 n THR 30 Ca -0.19 -0.26 -0.30 0.00 -2.27 0.00 0.00 64.05 61.03 3d21 n THR 30 Cb 0.51 0.98 -0.16 0.00 -2.10 0.00 0.00 70.33 69.56 3d21 n THR 30 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3d21 s THR 31 N -0.54 1.95 0.63 4.28 -4.23 -1.26 -4.52 115.64 111.95 3d21 s THR 31 Ca 0.00 -1.05 0.22 0.00 -1.18 0.00 0.00 61.69 59.68 3d21 s THR 31 Cb 0.00 -1.62 0.28 0.00 1.34 0.00 0.00 72.50 72.50 3d21 s THR 31 CO 0.00 0.55 1.54 0.50 -0.54 0.00 0.00 174.62 176.67 3d21 h LYS 32 N 5.57 0.00 0.00 3.99 1.63 -2.00 -2.08 116.57 123.68 3d21 h LYS 32 Ca -0.41 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.39 3d21 h LYS 32 Cb 1.13 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.76 3d21 h LYS 32 CO 0.47 0.00 -0.79 -1.91 -3.45 0.00 0.00 179.45 173.77 3d21 n GLU 33 N -3.10 1.80 -0.27 1.90 2.13 -1.26 -2.28 120.64 119.56 3d21 n GLU 33 Ca 0.08 -0.01 -0.06 0.00 0.66 0.00 0.00 57.16 57.83 3d21 n GLU 33 Cb 0.90 -1.24 0.06 0.00 0.27 0.00 0.00 31.44 31.43 3d21 n GLU 33 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 3d21 h ARG 34 N 0.00 1.04 -0.13 5.31 2.43 -1.81 0.15 114.38 121.37 3d21 h ARG 34 Ca 0.00 -0.14 0.05 0.00 -0.81 0.00 0.00 59.98 59.07 3d21 h ARG 34 Cb 0.39 -0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 29.68 3d21 h ARG 34 CO 0.00 0.80 -0.35 2.35 -1.51 0.00 0.00 179.97 181.26 3d21 h TRP 35 N 1.02 -0.99 -0.27 2.20 2.91 -1.57 0.70 115.95 119.96 3d21 h TRP 35 Ca 0.25 0.04 -0.00 0.00 1.13 0.00 0.00 58.89 60.31 3d21 h TRP 35 Cb 0.09 0.45 -0.01 0.00 -0.51 0.00 0.00 29.16 29.18 3d21 h TRP 35 CO 0.00 -0.43 0.16 -0.44 -1.03 0.00 0.00 178.44 176.71 3d21 h ASP 36 N -0.43 0.32 -0.07 2.65 3.45 -1.41 -0.94 116.42 119.99 3d21 h ASP 36 Ca 0.09 -0.04 0.02 0.00 0.43 0.00 0.00 57.03 57.53 3d21 h ASP 36 Cb 0.57 -0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 39.24 3d21 h ASP 36 CO -0.37 0.27 -0.06 0.06 -1.57 0.00 0.00 179.24 177.57 3d21 h GLN 37 N 0.34 -0.07 -0.32 3.56 3.07 -0.27 -2.73 115.11 118.69 3d21 h GLN 37 Ca 0.10 0.01 -0.02 0.00 0.09 0.00 0.00 58.65 58.82 3d21 h GLN 37 Cb 0.00 0.02 -0.01 0.00 0.08 0.00 0.00 27.48 27.57 3d21 h GLN 37 CO -0.02 -0.05 0.13 0.87 0.09 0.00 0.00 178.83 179.85 3d21 h LYS 38 N -0.08 0.48 -0.90 0.06 1.79 0.63 -1.54 116.57 117.01 3d21 h LYS 38 Ca 0.05 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 3d21 h LYS 38 Cb 0.15 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.68 3d21 h LYS 38 CO -0.12 0.48 0.53 -0.07 -1.08 0.00 0.00 179.45 179.19 3d21 h LEU 39 N 0.37 1.09 -0.54 2.94 3.38 -1.24 -0.07 115.31 121.23 3d21 h LEU 39 Ca 0.11 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3d21 h LEU 39 Cb 0.18 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3d21 h LEU 39 CO -0.01 0.85 0.29 0.28 0.09 0.00 0.00 178.44 179.93 3d21 h SER 40 N 1.24 0.69 -0.28 -0.43 0.02 -1.27 -0.56 113.55 112.96 3d21 h SER 40 Ca 0.32 -0.10 0.07 0.00 -0.84 0.00 0.00 61.79 61.23 3d21 h SER 40 Cb -0.03 -0.18 -0.07 0.00 0.14 0.00 0.00 62.40 62.26 3d21 h SER 40 CO -0.06 0.59 -0.21 -0.33 -1.14 0.00 0.00 176.83 175.68 3d21 h GLU 41 N 0.73 -0.19 -0.75 3.45 5.08 -1.11 -0.86 114.58 120.93 3d21 h GLU 41 Ca 0.19 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 3d21 h GLU 41 Cb 0.07 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 3d21 h GLU 41 CO -0.03 -0.13 0.39 0.00 -1.00 0.00 0.00 179.01 178.25 3d21 h ALA 42 N 0.93 1.27 -0.04 3.43 0.00 -0.50 -2.02 119.26 122.33 3d21 h ALA 42 Ca 0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3d21 h ALA 42 Cb 0.43 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3d21 h ALA 42 CO -0.40 0.58 -0.07 0.66 0.00 0.00 0.00 179.25 180.03 3d21 h SER 43 N 1.06 0.13 -1.00 0.00 4.64 -0.81 0.83 113.55 118.40 3d21 h SER 43 Ca 0.26 -0.54 0.22 0.00 -0.47 0.00 0.00 61.79 61.26 3d21 h SER 43 Cb 0.06 -0.04 -0.10 0.00 -0.31 0.00 0.00 62.40 62.01 3d21 h SER 43 CO -0.04 0.64 0.62 0.08 -0.87 0.00 0.00 176.83 177.27 3d21 h ARG 44 N -0.38 0.57 -0.35 4.77 0.11 -1.07 0.34 114.38 118.37 3d21 h ARG 44 Ca 0.00 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.05 3d21 h ARG 44 Cb 0.62 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 31.57 3d21 h ARG 44 CO 0.01 0.38 0.00 -0.25 0.10 0.00 0.00 179.97 180.21 3d21 n ASP 45 N -4.71 1.87 -2.10 0.08 10.43 -0.77 -4.93 116.55 116.42 3d21 n ASP 45 Ca 0.24 -2.01 -0.15 0.00 2.57 0.00 0.00 54.79 55.44 3d21 n ASP 45 Cb 0.70 -0.24 -0.03 0.00 1.84 0.00 0.00 41.12 43.40 3d21 n ASP 45 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3d21 n GLY 46 N 1.04 0.14 3.85 0.44 0.00 0.12 -4.98 105.19 105.81 3d21 n GLY 46 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 3d21 n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d21 s LYS 47 N -4.45 3.95 -0.07 1.61 1.02 0.28 -4.99 119.74 117.09 3d21 s LYS 47 Ca 0.00 0.50 -0.17 0.00 0.02 0.00 0.00 55.97 56.32 3d21 s LYS 47 Cb 0.00 -2.67 -0.05 0.00 -0.52 0.00 0.00 37.83 34.59 3d21 s LYS 47 CO 0.00 0.32 0.46 0.42 -0.92 0.00 0.00 175.35 175.62 3d21 s ILE 48 N -1.75 5.11 -0.17 2.17 1.01 -1.26 -4.46 121.20 121.85 3d21 s ILE 48 Ca 0.47 0.93 -0.14 0.00 0.00 0.00 0.00 60.65 61.90 3d21 s ILE 48 Cb -0.12 -3.79 -0.05 0.00 0.01 0.00 0.00 42.46 38.51 3d21 s ILE 48 CO 0.20 0.41 0.31 -0.69 0.00 0.00 0.00 174.94 175.17 3d21 s VAL 49 N 0.04 5.29 -0.40 2.92 1.01 -0.63 -1.72 120.40 126.91 3d21 s VAL 49 Ca 0.25 0.57 -0.14 0.00 0.00 0.00 0.00 61.98 62.66 3d21 s VAL 49 Cb -0.16 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.60 3d21 s VAL 49 CO 0.11 0.36 0.28 -0.22 0.00 0.00 0.00 175.10 175.64 3d21 s LEU 50 N 0.62 5.02 -0.22 3.92 0.20 -0.31 -0.48 118.68 127.43 3d21 s LEU 50 Ca 0.17 -0.91 -0.07 0.00 0.69 0.00 0.00 54.13 54.01 3d21 s LEU 50 Cb -0.13 -2.13 -0.03 0.00 -0.43 0.00 0.00 46.19 43.47 3d21 s LEU 50 CO 0.05 -0.43 0.05 0.00 -0.29 0.00 0.00 176.35 175.72 3d21 s ALA 51 N 1.66 3.17 -0.42 5.97 0.00 0.43 0.12 121.76 132.69 3d21 s ALA 51 Ca 0.04 -1.01 -0.09 0.00 0.00 0.00 0.00 51.96 50.91 3d21 s ALA 51 Cb -0.19 -1.95 0.08 0.00 0.00 0.00 0.00 23.12 21.06 3d21 s ALA 51 CO 0.09 -0.25 0.25 1.21 0.00 0.00 0.00 175.76 177.07 3d21 s ASN 52 N 1.17 5.62 -0.37 0.00 2.47 -0.83 0.14 114.94 123.15 3d21 s ASN 52 Ca 0.04 -1.51 -0.22 0.00 0.42 0.00 0.00 52.86 51.58 3d21 s ASN 52 Cb -0.14 -1.98 0.01 0.00 -1.45 0.00 0.00 41.25 37.69 3d21 s ASN 52 CO 0.03 -0.53 0.75 -0.36 -3.72 0.00 0.00 177.10 173.26 3d21 s PHE 53 N 1.42 3.11 0.35 0.43 0.08 0.74 0.55 117.98 124.66 3d21 s PHE 53 Ca 0.03 0.46 -0.02 0.00 0.12 0.00 0.00 56.93 57.52 3d21 s PHE 53 Cb -0.23 -3.36 0.00 0.00 -0.57 0.00 0.00 43.02 38.87 3d21 s PHE 53 CO 0.02 -0.73 0.49 -1.54 -0.10 0.00 0.00 175.22 173.36 3d21 s SER 54 N 1.86 0.98 0.01 1.36 1.04 0.11 -0.99 113.70 118.06 3d21 s SER 54 Ca 0.29 -1.51 -0.08 0.00 0.48 0.00 0.00 55.95 55.13 3d21 s SER 54 Cb -0.13 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.67 3d21 s SER 54 CO 0.17 -1.32 0.16 0.00 0.98 0.00 0.00 173.24 173.22 3d21 s ALA 55 N -2.97 -0.36 0.11 5.32 0.00 -1.26 -0.92 121.76 121.69 3d21 s ALA 55 Ca 0.30 -0.13 -0.19 0.00 0.00 0.00 0.00 51.96 51.95 3d21 s ALA 55 Cb -0.01 0.13 -0.06 0.00 0.00 0.00 0.00 23.12 23.19 3d21 s ALA 55 CO 0.21 -0.23 1.70 0.00 0.00 0.00 0.00 175.76 177.43 3d21 h ARG 56 N 4.13 0.36 -1.06 0.00 3.08 -2.00 -3.19 114.38 115.70 3d21 h ARG 56 Ca -0.31 -0.05 -0.62 0.00 0.07 0.00 0.00 59.98 59.07 3d21 h ARG 56 Cb 1.19 -0.07 -0.27 0.00 0.08 0.00 0.00 29.97 30.90 3d21 h ARG 56 CO 0.42 0.35 0.80 0.91 -1.07 0.00 0.00 179.97 181.38 3d21 n TRP 57 N -4.83 3.01 -3.94 3.04 8.01 -1.26 -4.81 117.44 116.66 3d21 n TRP 57 Ca -0.03 -2.81 -0.35 0.00 -1.31 0.00 0.00 57.50 53.01 3d21 n TRP 57 Cb 0.09 -1.36 -0.14 0.00 -2.01 0.00 0.00 31.31 27.89 3d21 n TRP 57 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3d21 h GLY 59 N 8.07 -1.01 1.15 0.00 0.00 -1.89 -1.86 103.07 107.52 3d21 h GLY 59 Ca -0.39 0.38 0.12 0.00 0.00 0.00 0.00 47.33 47.44 3d21 h GLY 59 CO 0.60 -0.37 0.31 -2.55 0.00 0.00 0.00 176.54 174.53 3d21 h PRO 60 N -1.17 0.00 0.04 4.80 0.11 -1.96 -1.99 132.00 131.83 3d21 h PRO 60 Ca -0.10 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.01 3d21 h PRO 60 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 3d21 h PRO 60 CO 0.16 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 177.93 3d21 h LYS 62 N -0.26 -0.11 -0.07 0.00 1.57 -1.23 -1.63 116.57 114.83 3d21 h LYS 62 Ca -0.01 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3d21 h LYS 62 Cb 0.24 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 3d21 h LYS 62 CO 0.01 -0.07 0.07 0.37 -0.57 0.00 0.00 179.45 179.26 3d21 h GLN 63 N -0.12 0.00 -0.01 3.15 4.15 -1.28 -2.21 115.11 118.81 3d21 h GLN 63 Ca 0.17 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.59 3d21 h GLN 63 Cb 0.37 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.06 3d21 h GLN 63 CO -0.40 0.00 -0.51 1.51 -1.93 0.00 0.00 178.83 177.51 3d21 n ILE 64 N -4.00 0.00 -0.35 2.39 3.06 -1.03 -4.64 119.36 114.79 3d21 n ILE 64 Ca -0.01 -0.25 -0.03 0.00 -2.50 0.00 0.00 62.75 59.96 3d21 n ILE 64 Cb 0.17 1.11 0.10 0.00 0.54 0.00 0.00 39.64 41.56 3d21 n ILE 64 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3d21 h ALA 65 N 2.53 1.21 0.37 1.51 0.00 -0.64 -1.31 119.26 122.92 3d21 h ALA 65 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3d21 h ALA 65 Cb 0.47 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3d21 h ALA 65 CO 0.00 0.65 -0.18 -1.35 0.00 0.00 0.00 179.25 178.37 3d21 h PRO 66 N 1.30 -0.48 -1.05 0.00 0.11 -1.82 -0.88 132.00 129.18 3d21 h PRO 66 Ca 0.34 0.03 0.27 0.00 0.11 0.00 0.00 66.00 66.76 3d21 h PRO 66 Cb -0.07 0.11 -0.09 0.00 0.11 0.00 0.00 31.00 31.05 3d21 h PRO 66 CO -0.07 -0.31 0.68 -0.92 -0.21 0.00 0.00 178.00 177.18 3d21 h TYR 67 N -0.52 0.62 -0.28 0.65 3.20 -1.83 0.21 116.97 119.04 3d21 h TYR 67 Ca -0.05 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.67 3d21 h TYR 67 Cb 0.39 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.48 3d21 h TYR 67 CO -0.05 0.05 -0.50 -0.92 -1.64 0.00 0.00 178.16 175.10 3d21 h TYR 68 N 0.36 1.04 0.48 -3.82 3.20 -0.64 0.17 116.97 117.76 3d21 h TYR 68 Ca 0.60 -0.37 -0.02 0.00 3.14 0.00 0.00 58.73 62.08 3d21 h TYR 68 Cb 1.57 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.65 3d21 h TYR 68 CO -0.00 1.18 -0.26 0.82 -1.64 0.00 0.00 178.16 178.26 3d21 h ILE 69 N 0.59 0.47 -0.45 1.81 2.04 -0.30 -0.77 117.51 120.91 3d21 h ILE 69 Ca 0.02 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.95 3d21 h ILE 69 Cb 1.11 0.47 -0.09 0.00 -0.74 0.00 0.00 36.82 37.57 3d21 h ILE 69 CO 0.11 0.00 -0.43 -0.33 0.00 0.00 0.00 178.15 177.50 3d21 h GLU 70 N -0.69 -0.29 -0.80 2.37 5.08 -0.72 0.37 114.58 119.91 3d21 h GLU 70 Ca -0.06 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.42 3d21 h GLU 70 Cb 0.54 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.80 3d21 h GLU 70 CO 0.09 -0.19 0.52 -0.07 -1.00 0.00 0.00 179.01 178.36 3d21 h LEU 71 N -0.30 0.63 -2.15 1.33 3.38 -0.68 0.15 115.31 117.67 3d21 h LEU 71 Ca 0.15 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3d21 h LEU 71 Cb 0.58 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 3d21 h LEU 71 CO -0.61 0.37 -0.06 0.77 0.09 0.00 0.00 178.44 179.00 3d21 h SER 72 N 0.70 0.00 0.88 -0.43 4.64 0.64 -2.09 113.55 117.87 3d21 h SER 72 Ca 0.37 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.61 3d21 h SER 72 Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 3d21 h SER 72 CO -0.15 0.06 -1.18 -0.33 -0.87 0.00 0.00 176.83 174.37 3d21 h GLU 73 N 0.00 0.00 0.00 4.77 5.08 -0.48 -3.33 114.58 120.62 3d21 h GLU 73 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3d21 h GLU 73 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3d21 h GLU 73 CO 0.01 0.14 -0.18 0.09 -1.00 0.00 0.00 179.01 178.07 3d21 n ASN 74 N -2.79 0.56 -3.23 1.42 4.13 -0.76 -4.54 115.26 110.05 3d21 n ASN 74 Ca -0.04 0.39 -0.24 0.00 1.68 0.00 0.00 54.58 56.36 3d21 n ASN 74 Cb 0.69 -0.43 -0.07 0.00 -1.54 0.00 0.00 39.78 38.43 3d21 n ASN 74 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3d21 n TYR 75 N -1.97 -0.23 0.16 3.10 4.01 -0.93 -4.89 117.16 116.41 3d21 n TYR 75 Ca 0.05 -3.56 0.10 0.00 -0.16 0.00 0.00 57.90 54.33 3d21 n TYR 75 Cb 0.40 -0.30 0.52 0.00 -0.31 0.00 0.00 39.34 39.65 3d21 n TYR 75 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3d21 n PRO 76 N 1.54 0.13 0.22 -0.72 -0.04 -1.26 -1.63 135.00 133.24 3d21 n PRO 76 Ca 0.22 0.61 0.07 0.00 -0.04 0.00 0.00 63.50 64.36 3d21 n PRO 76 Cb 0.52 -1.90 0.53 0.00 -0.04 0.00 0.00 33.50 32.60 3d21 n PRO 76 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3d21 h SER 77 N 0.00 0.00 -3.20 3.54 0.02 -1.92 -3.42 113.55 108.56 3d21 h SER 77 Ca 0.00 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.28 3d21 h SER 77 Cb 0.02 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.42 3d21 h SER 77 CO 0.00 0.23 -0.59 -0.76 -1.14 0.00 0.00 176.83 174.56 3d21 s LEU 78 N -7.89 3.72 -0.42 5.07 1.43 -0.64 -4.03 118.68 115.91 3d21 s LEU 78 Ca -0.03 0.18 -0.25 0.00 -1.03 0.00 0.00 54.13 52.99 3d21 s LEU 78 Cb 0.14 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.51 3d21 s LEU 78 CO 0.66 0.35 0.92 -0.32 0.23 0.00 0.00 176.35 178.19 3d21 s MET 79 N -0.71 3.67 -0.49 1.70 -2.45 -0.70 -4.93 119.30 115.39 3d21 s MET 79 Ca 0.11 0.33 -0.24 0.00 -1.25 0.00 0.00 55.69 54.65 3d21 s MET 79 Cb -0.12 -3.87 0.03 0.00 1.25 0.00 0.00 34.83 32.13 3d21 s MET 79 CO 0.02 -1.09 0.86 -0.06 1.05 0.00 0.00 175.02 175.80 3d21 s PHE 80 N 3.60 2.91 0.17 4.11 0.40 -1.26 -1.16 117.98 126.76 3d21 s PHE 80 Ca 0.37 0.09 0.05 0.00 -0.60 0.00 0.00 56.93 56.84 3d21 s PHE 80 Cb -0.11 -3.87 -0.04 0.00 0.51 0.00 0.00 43.02 39.52 3d21 s PHE 80 CO 0.23 -1.15 0.13 -0.51 0.70 0.00 0.00 175.22 174.62 3d21 s LEU 81 N 3.58 3.76 -0.10 -0.37 1.43 0.12 -1.24 118.68 125.86 3d21 s LEU 81 Ca 0.30 -0.17 0.04 0.00 -1.03 0.00 0.00 54.13 53.27 3d21 s LEU 81 Cb -0.12 -2.36 0.00 0.00 0.03 0.00 0.00 46.19 43.73 3d21 s LEU 81 CO 0.21 0.06 -0.24 -0.69 0.23 0.00 0.00 176.35 175.93 3d21 s VAL 82 N -1.79 2.02 -0.14 -1.59 1.01 0.80 -1.96 120.40 118.75 3d21 s VAL 82 Ca 0.31 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.29 3d21 s VAL 82 Cb -0.10 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 3d21 s VAL 82 CO 0.23 0.55 -0.14 -0.63 0.00 0.00 0.00 175.10 175.11 3d21 s ILE 83 N 0.35 2.87 -0.47 2.22 1.09 0.19 -0.85 121.20 126.61 3d21 s ILE 83 Ca -0.19 -0.71 -0.22 0.00 -1.10 0.00 0.00 60.65 58.43 3d21 s ILE 83 Cb -0.18 -2.21 0.03 0.00 -1.06 0.00 0.00 42.46 39.04 3d21 s ILE 83 CO 0.09 0.52 0.74 -0.62 -0.10 0.00 0.00 174.94 175.57 3d21 s ASP 84 N 0.56 6.35 0.36 3.58 -1.08 -1.11 0.07 116.67 125.39 3d21 s ASP 84 Ca -0.09 -0.32 0.18 0.00 -0.52 0.00 0.00 52.55 51.80 3d21 s ASP 84 Cb -0.16 -2.36 0.54 0.00 -1.46 0.00 0.00 42.92 39.48 3d21 s ASP 84 CO 0.04 -0.92 1.66 -0.37 0.52 0.00 0.00 175.17 176.10 3d21 h VAL 85 N 5.94 0.84 0.01 1.11 -1.51 -1.33 -0.68 116.25 120.63 3d21 h VAL 85 Ca -0.25 -1.67 -0.00 0.00 -1.23 0.00 0.00 66.70 63.54 3d21 h VAL 85 Cb 1.09 2.05 0.00 0.00 -2.13 0.00 0.00 31.29 32.30 3d21 h VAL 85 CO 0.96 0.39 -0.01 0.44 -1.23 0.00 0.00 177.57 178.12 3d21 h ASP 86 N 0.00 -0.02 0.34 4.19 3.32 -1.90 -3.20 116.42 119.15 3d21 h ASP 86 Ca -0.00 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 3d21 h ASP 86 Cb 1.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.58 3d21 h ASP 86 CO 0.05 0.05 -0.16 -0.08 -1.72 0.00 0.00 179.24 177.38 3d21 h GLU 87 N -0.09 -0.43 -3.56 3.56 4.57 -1.91 -3.35 114.58 113.37 3d21 h GLU 87 Ca -0.00 0.03 -0.56 0.00 -1.18 0.00 0.00 59.36 57.65 3d21 h GLU 87 Cb 0.08 0.10 0.02 0.00 -0.16 0.00 0.00 28.75 28.79 3d21 h GLU 87 CO 0.00 -0.29 3.01 1.28 -1.18 0.00 0.00 179.01 181.83 3d21 n LEU 88 N -4.18 6.21 -0.14 1.64 4.77 -0.27 -4.76 117.00 120.26 3d21 n LEU 88 Ca -0.06 -3.50 -0.11 0.00 -0.03 0.00 0.00 56.01 52.31 3d21 n LEU 88 Cb 0.18 -1.31 -0.01 0.00 -2.33 0.00 0.00 43.42 39.94 3d21 n LEU 88 CO 0.14 0.96 0.70 -1.28 -1.33 0.00 0.00 177.39 176.57 3d21 h SER 89 N 6.14 0.83 -0.13 -1.43 0.87 -1.69 -0.71 113.55 117.43 3d21 h SER 89 Ca 0.61 -0.38 -0.18 0.00 -1.23 0.00 0.00 61.79 60.61 3d21 h SER 89 Cb 0.35 -0.23 0.01 0.00 -0.44 0.00 0.00 62.40 62.09 3d21 h SER 89 CO 1.69 1.02 -0.61 0.44 -0.53 0.00 0.00 176.83 178.84 3d21 h ASP 90 N 0.63 0.76 -0.72 6.23 3.45 -1.89 -2.62 116.42 122.26 3d21 h ASP 90 Ca 0.10 -0.63 -0.02 0.00 0.43 0.00 0.00 57.03 56.91 3d21 h ASP 90 Cb 0.67 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 39.18 3d21 h ASP 90 CO 0.05 1.27 0.39 0.15 -1.57 0.00 0.00 179.24 179.53 3d21 h PHE 91 N 0.30 0.99 -0.89 4.55 3.57 -1.95 -1.82 116.94 121.70 3d21 h PHE 91 Ca -0.04 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.47 3d21 h PHE 91 Cb 1.25 -0.32 -0.05 0.00 2.79 0.00 0.00 35.95 39.62 3d21 h PHE 91 CO 0.10 0.70 0.57 0.77 -2.23 0.00 0.00 178.31 178.23 3d21 h SER 92 N 0.99 0.94 -0.88 0.41 0.02 -1.10 -1.03 113.55 112.89 3d21 h SER 92 Ca 0.25 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.20 3d21 h SER 92 Cb 0.05 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.34 3d21 h SER 92 CO -0.04 0.63 0.54 0.00 -1.14 0.00 0.00 176.83 176.83 3d21 h ALA 93 N 1.38 1.12 0.00 3.77 0.00 -1.06 -0.79 119.26 123.67 3d21 h ALA 93 Ca 0.36 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 3d21 h ALA 93 Cb 0.04 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3d21 h ALA 93 CO -0.13 0.57 -0.22 0.66 0.00 0.00 0.00 179.25 180.13 3d21 h SER 94 N 1.21 0.00 -0.52 0.00 4.64 -0.37 0.19 113.55 118.69 3d21 h SER 94 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3d21 h SER 94 Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3d21 h SER 94 CO -0.06 0.22 0.00 0.79 -0.87 0.00 0.00 176.83 176.90 3d21 n TRP 95 N -3.55 0.78 -3.72 4.77 7.02 -0.42 -4.94 117.44 117.37 3d21 n TRP 95 Ca -0.01 -0.37 -0.26 0.00 -1.02 0.00 0.00 57.50 55.84 3d21 n TRP 95 Cb 0.37 -0.03 0.06 0.00 -2.42 0.00 0.00 31.31 29.28 3d21 n TRP 95 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 3d21 n GLU 96 N 1.01 -6.75 -2.25 -0.99 1.02 0.67 -4.90 120.64 108.45 3d21 n GLU 96 Ca 0.18 0.72 -0.42 0.00 -0.02 0.00 0.00 57.16 57.62 3d21 n GLU 96 Cb 0.49 -5.69 -0.03 0.00 -0.02 0.00 0.00 31.44 26.19 3d21 n GLU 96 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3d21 s ILE 97 N -3.33 3.80 -0.17 -3.67 -1.09 -0.87 -4.87 121.20 111.00 3d21 s ILE 97 Ca 0.55 1.15 0.03 0.00 -2.23 0.00 0.00 60.65 60.15 3d21 s ILE 97 Cb -0.26 -3.74 -0.02 0.00 -1.58 0.00 0.00 42.46 36.86 3d21 s ILE 97 CO 0.78 -0.01 0.18 0.29 -1.23 0.00 0.00 174.94 174.94 3d21 n LYS 98 N 5.53 5.25 -3.47 2.79 4.76 -1.26 -4.88 118.16 126.88 3d21 n LYS 98 Ca 0.13 -0.08 -0.15 0.00 -2.87 0.00 0.00 58.31 55.34 3d21 n LYS 98 Cb 0.44 -0.69 -0.04 0.00 -1.84 0.00 0.00 35.03 32.90 3d21 n LYS 98 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3d21 s ALA 99 N -1.15 -1.66 0.06 7.82 0.00 -1.26 -5.18 121.76 120.38 3d21 s ALA 99 Ca 0.01 0.85 0.09 0.00 0.00 0.00 0.00 51.96 52.92 3d21 s ALA 99 Cb 0.02 0.48 -0.03 0.00 0.00 0.00 0.00 23.12 23.59 3d21 s ALA 99 CO 0.11 -0.58 -0.26 0.95 0.00 0.00 0.00 175.76 175.97 3d21 s THR 100 N -2.58 2.18 0.49 0.00 -4.23 -1.26 -3.82 115.64 106.43 3d21 s THR 100 Ca -0.04 -1.43 -0.16 0.00 -1.18 0.00 0.00 61.69 58.88 3d21 s THR 100 Cb -0.01 -1.87 -0.08 0.00 1.34 0.00 0.00 72.50 71.89 3d21 s THR 100 CO -0.03 0.33 0.95 -2.16 -0.54 0.00 0.00 174.62 173.18 3d21 s PRO 101 N -1.35 3.93 -0.06 3.99 0.04 -1.26 -4.74 135.00 135.56 3d21 s PRO 101 Ca 0.12 0.88 0.05 0.00 0.04 0.00 0.00 61.00 62.10 3d21 s PRO 101 Cb -0.10 -2.18 -0.01 0.00 0.04 0.00 0.00 34.50 32.25 3d21 s PRO 101 CO 0.03 -0.22 -0.23 0.99 0.04 0.00 0.00 177.00 177.61 3d21 s THR 102 N -2.57 1.87 -0.20 1.26 2.01 -0.16 -0.87 115.64 116.98 3d21 s THR 102 Ca 0.58 -0.96 -0.07 0.00 0.31 0.00 0.00 61.69 61.55 3d21 s THR 102 Cb -0.10 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 3d21 s THR 102 CO 0.31 0.52 0.06 -0.36 -0.69 0.00 0.00 174.62 174.46 3d21 s PHE 103 N -0.06 3.17 -0.08 4.92 0.08 0.11 -0.19 117.98 125.94 3d21 s PHE 103 Ca -0.05 -0.11 0.01 0.00 0.12 0.00 0.00 56.93 56.90 3d21 s PHE 103 Cb -0.14 -2.13 -0.03 0.00 -0.57 0.00 0.00 43.02 40.16 3d21 s PHE 103 CO 0.04 -0.03 -0.09 -0.06 -0.10 0.00 0.00 175.22 174.97 3d21 s PHE 104 N 0.81 2.87 -0.26 0.36 0.08 0.12 -0.87 117.98 121.09 3d21 s PHE 104 Ca 0.03 -0.16 -0.12 0.00 0.12 0.00 0.00 56.93 56.80 3d21 s PHE 104 Cb -0.14 -1.74 -0.05 0.00 -0.57 0.00 0.00 43.02 40.53 3d21 s PHE 104 CO 0.02 0.17 0.24 -0.06 -0.10 0.00 0.00 175.22 175.49 3d21 s PHE 105 N -0.47 3.26 -0.09 0.36 0.08 -0.81 -0.43 117.98 119.89 3d21 s PHE 105 Ca 0.07 0.25 0.04 0.00 0.12 0.00 0.00 56.93 57.41 3d21 s PHE 105 Cb -0.12 -2.41 -0.01 0.00 -0.57 0.00 0.00 43.02 39.92 3d21 s PHE 105 CO 0.02 -0.11 -0.22 -0.51 -0.10 0.00 0.00 175.22 174.30 3d21 s LEU 106 N 1.61 2.21 -0.21 -0.37 1.43 0.36 0.12 118.68 123.84 3d21 s LEU 106 Ca 0.10 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 3d21 s LEU 106 Cb -0.15 -1.44 0.01 0.00 0.03 0.00 0.00 46.19 44.64 3d21 s LEU 106 CO 0.09 0.20 -0.11 -0.60 0.23 0.00 0.00 176.35 176.15 3d21 s ARG 107 N 0.12 3.08 -0.79 1.70 6.06 0.70 -1.60 118.95 128.22 3d21 s ARG 107 Ca -0.11 -0.80 -0.10 0.00 -2.50 0.00 0.00 55.73 52.22 3d21 s ARG 107 Cb -0.16 -2.82 0.10 0.00 0.06 0.00 0.00 34.95 32.13 3d21 s ARG 107 CO 0.06 -0.25 0.25 -0.25 -2.50 0.00 0.00 175.30 172.61 3d21 n ASP 108 N 4.69 -1.27 0.00 -2.12 9.92 -1.26 -0.74 116.55 125.77 3d21 n ASP 108 Ca -0.19 -0.27 0.00 0.00 -0.53 0.00 0.00 54.79 53.80 3d21 n ASP 108 Cb 0.50 -1.17 0.00 0.00 -0.64 0.00 0.00 41.12 39.80 3d21 n ASP 108 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3d21 n GLY 109 N -0.71 0.79 3.58 0.44 0.00 -1.26 -5.06 105.19 102.97 3d21 n GLY 109 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3d21 n GLY 109 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d21 s GLN 110 N -0.74 2.63 0.02 1.61 -0.21 0.08 -5.05 119.66 118.01 3d21 s GLN 110 Ca 0.00 -0.65 -0.28 0.00 0.02 0.00 0.00 55.36 54.45 3d21 s GLN 110 Cb 0.00 -2.53 -0.04 0.00 1.00 0.00 0.00 33.01 31.44 3d21 s GLN 110 CO 0.00 0.63 0.88 -0.65 -2.12 0.00 0.00 175.29 174.03 3d21 s GLN 111 N -1.13 4.56 -0.14 2.91 -0.21 -1.26 -0.22 119.66 124.16 3d21 s GLN 111 Ca 0.15 1.25 0.17 0.00 0.02 0.00 0.00 55.36 56.95 3d21 s GLN 111 Cb -0.11 -3.42 -0.24 0.00 1.00 0.00 0.00 33.01 30.24 3d21 s GLN 111 CO 0.05 0.10 0.15 0.28 -2.12 0.00 0.00 175.29 173.75 3d21 n VAL 112 N 3.39 0.96 -3.71 1.09 0.31 0.33 -4.93 118.33 115.77 3d21 n VAL 112 Ca 0.02 -0.70 -0.02 0.00 -0.01 0.00 0.00 64.34 63.64 3d21 n VAL 112 Cb 0.50 -0.38 -0.01 0.00 -0.91 0.00 0.00 33.84 33.04 3d21 n VAL 112 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3d21 s ASP 113 N -5.01 -0.14 -0.07 4.52 -1.08 -1.05 -5.00 116.67 108.86 3d21 s ASP 113 Ca -0.09 -0.31 -0.27 0.00 -0.52 0.00 0.00 52.55 51.36 3d21 s ASP 113 Cb 0.07 0.38 0.06 0.00 -1.46 0.00 0.00 42.92 41.97 3d21 s ASP 113 CO 0.76 -0.70 0.61 -0.75 0.52 0.00 0.00 175.17 175.61 3d21 s LYS 114 N -3.00 0.95 -0.10 4.34 2.20 -1.26 -1.93 119.74 120.95 3d21 s LYS 114 Ca 0.13 0.26 -0.04 0.00 -0.36 0.00 0.00 55.97 55.96 3d21 s LYS 114 Cb 0.01 0.45 0.05 0.00 -1.51 0.00 0.00 37.83 36.83 3d21 s LYS 114 CO 0.00 -0.27 0.20 -1.17 -0.36 0.00 0.00 175.35 173.75 3d21 s LEU 115 N -1.02 0.01 -0.19 5.43 1.98 -0.05 -4.99 118.68 119.85 3d21 s LEU 115 Ca -0.10 0.44 -0.13 0.00 -2.89 0.00 0.00 54.13 51.45 3d21 s LEU 115 Cb -0.01 0.48 -0.05 0.00 0.66 0.00 0.00 46.19 47.27 3d21 s LEU 115 CO 0.08 -0.22 0.26 0.68 -1.89 0.00 0.00 176.35 175.26 3d21 s VAL 116 N 2.06 5.31 0.00 1.68 -7.23 -1.26 0.09 120.40 121.06 3d21 s VAL 116 Ca -0.01 0.44 0.00 0.00 -1.81 0.00 0.00 61.98 60.61 3d21 s VAL 116 Cb -0.12 -3.60 0.00 0.00 0.56 0.00 0.00 36.38 33.23 3d21 s VAL 116 CO -0.07 0.36 0.00 0.61 -0.31 0.00 0.00 175.10 175.69 3d21 n GLY 117 N 3.71 2.37 2.58 2.32 0.00 -0.05 -4.78 105.19 111.33 3d21 n GLY 117 Ca -0.12 -1.81 -0.24 0.00 0.00 0.00 0.00 46.02 43.84 3d21 n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d21 n ALA 118 N 1.58 5.07 -3.13 4.61 0.00 -1.26 -4.84 120.51 122.54 3d21 n ALA 118 Ca 0.00 -2.19 -0.45 0.00 0.00 0.00 0.00 53.44 50.80 3d21 n ALA 118 Cb 0.00 -3.05 -0.04 0.00 0.00 0.00 0.00 19.45 16.36 3d21 n ALA 118 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3d21 s ASN 119 N 3.26 6.34 0.05 0.00 3.84 -1.26 -4.97 114.94 122.20 3d21 s ASN 119 Ca 0.43 -1.75 -0.19 0.00 0.21 0.00 0.00 52.86 51.57 3d21 s ASN 119 Cb 0.11 -2.30 -0.08 0.00 -0.55 0.00 0.00 41.25 38.43 3d21 s ASN 119 CO -0.04 -1.01 1.29 0.11 -2.79 0.00 0.00 177.10 174.67 3d21 h LYS 120 N 8.89 -0.45 -0.97 0.43 1.57 -2.00 -0.36 116.57 123.68 3d21 h LYS 120 Ca -0.17 0.03 0.13 0.00 -1.87 0.00 0.00 60.65 58.77 3d21 h LYS 120 Cb 1.07 0.10 -0.14 0.00 0.08 0.00 0.00 32.23 33.34 3d21 h LYS 120 CO 1.04 -0.30 -0.45 -2.30 -0.57 0.00 0.00 179.45 176.87 3d21 n PRO 121 N -4.01 -0.30 -0.03 3.15 -0.02 -1.26 -1.58 135.00 130.94 3d21 n PRO 121 Ca -0.05 1.48 -0.10 0.00 -2.02 0.00 0.00 63.50 62.81 3d21 n PRO 121 Cb 0.23 -2.20 -0.04 0.00 -0.02 0.00 0.00 33.50 31.47 3d21 n PRO 121 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3d21 h GLU 122 N 0.00 0.22 0.04 -0.52 4.57 -1.93 0.16 114.58 117.13 3d21 h GLU 122 Ca 0.27 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.46 3d21 h GLU 122 Cb 0.51 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.02 3d21 h GLU 122 CO -0.95 0.16 -0.19 1.25 -1.18 0.00 0.00 179.01 178.10 3d21 h LEU 123 N 0.22 -0.55 -0.72 1.64 5.85 -0.72 0.14 115.31 121.18 3d21 h LEU 123 Ca 0.06 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.91 3d21 h LEU 123 Cb -0.02 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 3d21 h LEU 123 CO -0.01 -0.26 0.42 -0.74 -0.34 0.00 0.00 178.44 177.51 3d21 h HIS 124 N -0.33 0.78 -0.74 1.25 2.76 -1.12 0.14 115.15 117.88 3d21 h HIS 124 Ca 0.04 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.20 3d21 h HIS 124 Cb 0.38 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 29.07 3d21 h HIS 124 CO -0.22 0.39 0.30 -0.22 -1.30 0.00 0.00 177.93 176.89 3d21 h LYS 125 N 0.78 1.09 0.00 5.26 3.64 -0.22 -1.90 116.57 125.23 3d21 h LYS 125 Ca 0.31 -0.18 -0.09 0.00 -1.27 0.00 0.00 60.65 59.42 3d21 h LYS 125 Cb 0.15 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3d21 h LYS 125 CO -0.17 0.88 -0.44 0.87 -2.27 0.00 0.00 179.45 178.32 3d21 h LYS 126 N 1.07 0.00 -0.35 1.90 1.57 -0.15 -2.97 116.57 117.64 3d21 h LYS 126 Ca 0.25 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.92 3d21 h LYS 126 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3d21 h LYS 126 CO -0.02 0.44 -0.19 0.82 -0.57 0.00 0.00 179.45 179.92 3d21 h ILE 127 N 0.00 1.29 0.71 1.86 2.04 -0.22 -2.73 117.51 120.46 3d21 h ILE 127 Ca -0.00 -1.33 -0.03 0.00 1.00 0.00 0.00 64.86 64.50 3d21 h ILE 127 Cb 0.83 1.39 0.01 0.00 -0.74 0.00 0.00 36.82 38.30 3d21 h ILE 127 CO 0.06 0.43 -0.34 0.74 0.00 0.00 0.00 178.15 179.04 3d21 h THR 128 N 0.53 0.27 -0.79 -0.27 2.02 -1.34 0.13 112.91 113.47 3d21 h THR 128 Ca 0.08 -0.09 0.19 0.00 0.77 0.00 0.00 66.41 67.36 3d21 h THR 128 Cb 0.74 0.30 -0.13 0.00 -1.74 0.00 0.00 68.15 67.31 3d21 h THR 128 CO 0.06 0.01 0.06 0.00 0.37 0.00 0.00 175.52 176.01 3d21 h ALA 129 N -0.76 0.90 0.00 6.16 0.00 -1.64 0.64 119.26 124.56 3d21 h ALA 129 Ca -0.10 0.24 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3d21 h ALA 129 Cb 0.75 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3d21 h ALA 129 CO 0.16 -0.43 -0.25 0.82 0.00 0.00 0.00 179.25 179.55 3d21 h ILE 130 N 0.13 0.70 -0.30 0.00 5.03 -1.31 -2.19 117.51 119.56 3d21 h ILE 130 Ca 0.45 -1.11 0.00 0.00 -0.12 0.00 0.00 64.86 64.08 3d21 h ILE 130 Cb 0.81 1.71 0.00 0.00 -3.03 0.00 0.00 36.82 36.31 3d21 h ILE 130 CO -0.67 0.25 0.00 0.18 -0.68 0.00 0.00 178.15 177.23 3d21 n LEU 131 N -3.54 2.25 -0.02 1.44 4.32 0.91 -4.27 117.00 118.09 3d21 n LEU 131 Ca -0.01 -1.01 -0.02 0.00 -0.02 0.00 0.00 56.01 54.95 3d21 n LEU 131 Cb 0.40 -0.20 -0.01 0.00 -1.62 0.00 0.00 43.42 42.00 3d21 n LEU 131 CO 0.34 0.51 -0.18 0.47 -1.22 0.00 0.00 177.39 177.31 3d21 n ASP 132 N 0.71 0.55 0.00 -1.43 9.92 0.19 -4.99 116.55 121.50 3d21 n ASP 132 Ca 0.16 0.14 0.00 0.00 -0.53 0.00 0.00 54.79 54.56 3d21 n ASP 132 Cb 0.40 -0.58 0.00 0.00 -0.64 0.00 0.00 41.12 40.30 3d21 n ASP 132 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 3d21 n SER 133 N -3.04 0.00 0.00 -2.24 3.41 -0.86 -5.10 113.62 105.79 3d21 n SER 133 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 3d21 n SER 133 Cb 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 3d21 n SER 133 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88