#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d9o h ALA 3 N 0.00 2.04 0.12 0.62 0.00 -1.97 -2.94 119.26 117.12 3d9o h ALA 3 Ca 0.00 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 3d9o h ALA 3 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3d9o h ALA 3 CO 0.00 -0.07 -1.38 0.28 0.00 0.00 0.00 179.25 178.08 3d9o h VAL 4 N 0.00 1.33 -0.73 0.00 2.07 -1.93 -2.26 116.25 114.72 3d9o h VAL 4 Ca 0.03 -2.94 0.16 0.00 0.82 0.00 0.00 66.70 64.77 3d9o h VAL 4 Cb 0.11 2.84 -0.12 0.00 -1.52 0.00 0.00 31.29 32.61 3d9o h VAL 4 CO -0.00 0.85 0.12 0.11 0.02 0.00 0.00 177.57 178.67 3d9o h LYS 5 N 0.07 0.20 -0.19 1.57 1.57 -1.96 -0.14 116.57 117.68 3d9o h LYS 5 Ca -0.19 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.52 3d9o h LYS 5 Cb 1.99 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 34.25 3d9o h LYS 5 CO 0.18 0.13 -0.11 1.15 -0.57 0.00 0.00 179.45 180.23 3d9o h THR 6 N 0.20 1.31 -0.40 -0.16 2.02 -1.54 -2.66 112.91 111.70 3d9o h THR 6 Ca 0.41 -1.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.39 3d9o h THR 6 Cb 0.71 1.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.78 3d9o h THR 6 CO -0.56 0.36 0.22 0.15 0.37 0.00 0.00 175.52 176.06 3d9o h PHE 7 N 0.11 0.54 -0.87 3.16 3.57 -0.98 -1.40 116.94 121.08 3d9o h PHE 7 Ca 0.04 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.67 3d9o h PHE 7 Cb 0.61 -0.17 -0.09 0.00 2.79 0.00 0.00 35.95 39.08 3d9o h PHE 7 CO 0.07 0.42 0.47 -0.91 -2.23 0.00 0.00 178.31 176.12 3d9o h ASN 8 N 0.51 0.59 -0.43 0.41 2.35 -1.10 0.10 115.58 118.01 3d9o h ASN 8 Ca 0.14 0.08 0.02 0.00 -0.55 0.00 0.00 56.30 55.99 3d9o h ASN 8 Cb 0.06 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 3d9o h ASN 8 CO -0.02 0.26 0.25 0.28 -1.65 0.00 0.00 177.43 176.55 3d9o h SER 9 N 0.67 0.41 -0.13 5.81 0.02 -1.01 -0.99 113.55 118.33 3d9o h SER 9 Ca 0.47 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.38 3d9o h SER 9 Cb 0.63 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.09 3d9o h SER 9 CO -0.35 0.30 -0.09 -0.33 -1.14 0.00 0.00 176.83 175.22 3d9o h GLU 10 N 0.51 0.30 0.21 3.45 4.39 -0.73 -2.45 114.58 120.26 3d9o h GLU 10 Ca 0.17 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3d9o h GLU 10 Cb 0.01 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 3d9o h GLU 10 CO -0.08 0.66 -0.21 1.25 -1.16 0.00 0.00 179.01 179.47 3d9o h LEU 11 N -0.06 -0.57 -0.76 1.33 5.85 -0.97 -2.96 115.31 117.17 3d9o h LEU 11 Ca 0.03 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3d9o h LEU 11 Cb 0.59 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.82 3d9o h LEU 11 CO 0.03 -0.32 0.00 1.88 -0.34 0.00 0.00 178.44 179.69 3d9o h TYR 12 N -0.46 0.00 0.00 1.25 0.05 -1.26 -2.34 116.97 114.21 3d9o h TYR 12 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3d9o h TYR 12 Cb 0.43 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.17 3d9o h TYR 12 CO -0.16 0.00 0.00 -1.13 -1.05 0.00 0.00 178.16 175.82 3d9o n SER 13 N -2.53 0.00 -2.07 3.88 3.41 -0.92 -4.56 113.62 110.83 3d9o n SER 13 Ca 0.02 -0.02 -0.01 0.00 -0.26 0.00 0.00 58.87 58.61 3d9o n SER 13 Cb 0.30 -0.21 -0.01 0.00 -0.26 0.00 0.00 64.21 64.03 3d9o n SER 13 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3d9o n LEU 14 N -1.21 1.03 -2.17 1.04 4.77 -0.89 -5.10 117.00 114.47 3d9o n LEU 14 Ca 0.07 -0.65 -0.07 0.00 -0.03 0.00 0.00 56.01 55.33 3d9o n LEU 14 Cb 0.08 -0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 40.92 3d9o n LEU 14 CO 0.09 0.10 -0.03 0.47 -1.33 0.00 0.00 177.39 176.69 3d9o n ASP 16 N 2.24 -0.75 -3.63 -1.43 8.00 -1.26 -4.94 116.55 114.77 3d9o n ASP 16 Ca 0.03 0.03 -0.25 0.00 0.71 0.00 0.00 54.79 55.30 3d9o n ASP 16 Cb 0.12 -0.71 -0.17 0.00 -0.02 0.00 0.00 41.12 40.34 3d9o n ASP 16 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3d9o s LYS 18 N -3.55 0.08 0.74 -1.24 2.47 -1.26 -5.29 119.74 111.68 3d9o s LYS 18 Ca 0.14 -0.02 -0.15 0.00 -1.56 0.00 0.00 55.97 54.37 3d9o s LYS 18 Cb -0.08 -1.63 0.02 0.00 -1.46 0.00 0.00 37.83 34.69 3d9o s LYS 18 CO 0.17 -0.61 1.03 -2.30 0.16 0.00 0.00 175.35 173.79 3d9o n PRO 19 N 5.27 0.47 -2.00 4.03 -0.02 -1.26 -4.64 135.00 136.85 3d9o n PRO 19 Ca -0.06 0.22 -0.39 0.00 -2.02 0.00 0.00 63.50 61.25 3d9o n PRO 19 Cb 0.49 -2.28 0.01 0.00 -0.02 0.00 0.00 33.50 31.70 3d9o n PRO 19 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3d9o s PRO 20 N -3.50 3.66 0.24 0.52 0.04 -1.26 -5.15 135.00 129.55 3d9o s PRO 20 Ca 0.74 2.12 -0.30 0.00 0.04 0.00 0.00 61.00 63.59 3d9o s PRO 20 Cb -0.33 -2.53 -0.09 0.00 0.04 0.00 0.00 34.50 31.59 3d9o s PRO 20 CO 0.50 -0.73 0.97 0.42 0.04 0.00 0.00 177.00 178.20 3d9o s ILE 21 N -1.33 3.99 0.51 0.56 -1.09 -1.26 -5.03 121.20 117.55 3d9o s ILE 21 Ca 0.63 1.97 -0.22 0.00 -2.23 0.00 0.00 60.65 60.80 3d9o s ILE 21 Cb -0.37 -4.26 -0.06 0.00 -1.58 0.00 0.00 42.46 36.19 3d9o s ILE 21 CO 0.46 0.46 1.31 -0.94 -1.23 0.00 0.00 174.94 175.00 3d9o s SER 22 N -1.02 5.60 0.24 3.58 1.04 -1.26 -4.93 113.70 116.95 3d9o s SER 22 Ca 0.42 2.65 -0.05 0.00 0.48 0.00 0.00 55.95 59.46 3d9o s SER 22 Cb -0.27 -2.63 0.36 0.00 0.10 0.00 0.00 66.02 63.58 3d9o s SER 22 CO 0.34 -1.34 1.84 0.11 0.98 0.00 0.00 173.24 175.16 3d9o h LYS 23 N 1.73 0.89 -0.56 4.02 1.57 -2.05 -2.63 116.57 119.55 3d9o h LYS 23 Ca -0.50 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.27 3d9o h LYS 23 Cb 1.28 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 33.34 3d9o h LYS 23 CO 0.59 0.59 0.29 0.00 -0.57 0.00 0.00 179.45 180.35 3d9o h ALA 24 N 1.42 0.72 0.00 3.86 0.00 -2.05 -0.22 119.26 122.99 3d9o h ALA 24 Ca 0.39 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3d9o h ALA 24 Cb 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3d9o h ALA 24 CO -0.20 -0.04 0.00 1.17 0.00 0.00 0.00 179.25 180.18 3d9o n LYS 25 N -4.85 0.36 0.00 0.00 3.00 -0.99 -1.59 118.16 114.09 3d9o n LYS 25 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 3d9o n LYS 25 Cb 0.14 -1.28 0.00 0.00 0.00 0.00 0.00 35.03 33.89 3d9o n LYS 25 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 3d9o n THR 27 N 0.68 0.00 -0.34 3.15 -1.04 -0.10 -1.02 114.28 115.61 3d9o n THR 27 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 3d9o n THR 27 Cb 0.16 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 68.76 3d9o n THR 27 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 3d9o h GLN 28 N 0.00 1.27 -0.23 -2.82 7.50 -1.55 0.63 115.11 119.91 3d9o h GLN 28 Ca 0.00 -0.13 -0.01 0.00 0.50 0.00 0.00 58.65 59.01 3d9o h GLN 28 Cb 0.00 -0.26 -0.01 0.00 0.05 0.00 0.00 27.48 27.26 3d9o h GLN 28 CO 0.00 0.90 0.12 0.82 -1.50 0.00 0.00 178.83 179.17 3d9o h ILE 29 N 1.28 1.13 -0.29 2.54 2.04 -1.36 -2.10 117.51 120.76 3d9o h ILE 29 Ca 0.33 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 3d9o h ILE 29 Cb -0.02 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3d9o h ILE 29 CO -0.06 0.13 0.09 0.74 0.00 0.00 0.00 178.15 179.05 3d9o h THR 30 N 0.25 1.20 -0.70 -0.27 2.02 -1.71 -1.76 112.91 111.95 3d9o h THR 30 Ca 0.08 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.60 3d9o h THR 30 Cb 0.10 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 3d9o h THR 30 CO -0.01 0.22 0.44 0.11 0.37 0.00 0.00 175.52 176.65 3d9o h LYS 31 N 0.31 0.93 -0.47 6.66 1.57 -0.89 -0.85 116.57 123.82 3d9o h LYS 31 Ca 0.09 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 58.85 3d9o h LYS 31 Cb 0.25 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3d9o h LYS 31 CO -0.00 0.64 0.32 0.00 -0.57 0.00 0.00 179.45 179.83 3d9o h ALA 32 N 1.24 1.86 -0.07 3.86 0.00 -1.14 -0.81 119.26 124.20 3d9o h ALA 32 Ca 0.25 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 3d9o h ALA 32 Cb -0.07 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3d9o h ALA 32 CO -0.05 0.07 -0.18 0.00 0.00 0.00 0.00 179.25 179.09 3d9o h ALA 33 N 1.74 0.11 -0.20 0.00 0.00 -0.50 -2.91 119.26 117.50 3d9o h ALA 33 Ca 0.20 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3d9o h ALA 33 Cb 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3d9o h ALA 33 CO -0.05 0.05 -0.07 0.82 0.00 0.00 0.00 179.25 180.00 3d9o h ILE 34 N -0.26 1.17 -0.25 0.00 1.08 -0.85 -0.75 117.51 117.66 3d9o h ILE 34 Ca -0.00 -0.71 -0.10 0.00 -0.39 0.00 0.00 64.86 63.66 3d9o h ILE 34 Cb 0.79 1.10 -0.01 0.00 -3.07 0.00 0.00 36.82 35.63 3d9o h ILE 34 CO 0.04 0.23 -0.26 0.11 -0.69 0.00 0.00 178.15 177.58 3d9o h LYS 35 N 0.30 0.48 -0.81 2.37 1.57 -1.22 -3.08 116.57 116.17 3d9o h LYS 35 Ca 0.06 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3d9o h LYS 35 Cb 0.32 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3d9o h LYS 35 CO 0.01 0.71 0.00 0.00 -0.57 0.00 0.00 179.45 179.60 3d9o n ALA 36 N -2.49 3.14 -0.08 3.86 0.00 -0.30 -4.49 120.51 120.14 3d9o n ALA 36 Ca -0.00 -0.87 0.11 0.00 0.00 0.00 0.00 53.44 52.67 3d9o n ALA 36 Cb 0.41 -1.06 0.48 0.00 0.00 0.00 0.00 19.45 19.29 3d9o n ALA 36 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3d9o h ILE 37 N 1.83 0.92 -0.98 0.00 2.10 -1.42 0.28 117.51 120.24 3d9o h ILE 37 Ca 0.00 -0.15 0.22 0.00 1.08 0.00 0.00 64.86 66.00 3d9o h ILE 37 Cb 1.18 0.44 -0.09 0.00 -1.09 0.00 0.00 36.82 37.26 3d9o h ILE 37 CO 0.23 0.08 0.62 0.50 -1.08 0.00 0.00 178.15 178.50 3d9o h LYS 38 N 0.45 0.51 -0.81 2.19 3.64 -1.88 -1.72 116.57 118.95 3d9o h LYS 38 Ca 0.27 -0.03 -0.56 0.00 -1.27 0.00 0.00 60.65 59.06 3d9o h LYS 38 Cb 0.47 -0.11 -0.34 0.00 -0.41 0.00 0.00 32.23 31.84 3d9o h LYS 38 CO -0.08 0.34 -0.04 1.19 -2.27 0.00 0.00 179.45 178.59 3d9o n PHE 39 N -4.63 2.76 -0.25 1.91 3.72 0.97 -4.84 117.46 117.11 3d9o n PHE 39 Ca 0.22 -2.47 0.20 0.00 -0.05 0.00 0.00 57.45 55.36 3d9o n PHE 39 Cb 0.71 -0.81 0.52 0.00 -0.94 0.00 0.00 39.48 38.96 3d9o n PHE 39 CO 0.00 0.00 0.00 0.10 -0.05 0.00 0.00 176.76 176.81 3d9o h TYR 40 N 1.95 0.53 -0.62 1.38 -0.00 -1.14 0.77 116.97 119.84 3d9o h TYR 40 Ca 0.45 0.02 -0.03 0.00 0.00 0.00 0.00 58.73 59.17 3d9o h TYR 40 Cb 1.30 -0.16 -0.03 0.00 0.00 0.00 0.00 36.73 37.83 3d9o h TYR 40 CO 1.12 0.13 0.28 0.87 -0.00 0.00 0.00 178.16 180.57 3d9o h LYS 41 N 0.39 0.89 -0.21 0.10 1.57 -1.88 -0.33 116.57 117.11 3d9o h LYS 41 Ca 0.48 -0.12 -0.20 0.00 -1.87 0.00 0.00 60.65 58.93 3d9o h LYS 41 Cb 1.22 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.37 3d9o h LYS 41 CO -0.18 0.70 -0.67 0.45 -0.57 0.00 0.00 179.45 179.18 3d9o h HIS 42 N 0.88 1.05 -0.29 -1.35 3.86 -1.25 -2.14 115.15 115.92 3d9o h HIS 42 Ca 0.22 -0.42 0.02 0.00 -1.16 0.00 0.00 60.37 59.02 3d9o h HIS 42 Cb 0.12 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.38 3d9o h HIS 42 CO 0.01 1.25 0.14 0.28 0.86 0.00 0.00 177.93 180.47 3d9o h VAL 43 N 0.58 0.99 -0.13 2.45 2.07 -1.06 -1.68 116.25 119.46 3d9o h VAL 43 Ca -0.02 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3d9o h VAL 43 Cb 1.29 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 3d9o h VAL 43 CO 0.14 0.05 0.06 0.58 0.02 0.00 0.00 177.57 178.42 3d9o h VAL 44 N 0.29 1.13 -0.57 2.57 2.07 -1.07 -2.44 116.25 118.23 3d9o h VAL 44 Ca 0.12 -0.38 0.09 0.00 0.82 0.00 0.00 66.70 67.35 3d9o h VAL 44 Cb 0.04 1.14 -0.07 0.00 -1.52 0.00 0.00 31.29 30.88 3d9o h VAL 44 CO -0.08 0.12 0.18 -0.61 0.02 0.00 0.00 177.57 177.20 3d9o h GLN 45 N 0.08 0.34 -0.39 1.57 4.15 -1.30 -1.74 115.11 117.82 3d9o h GLN 45 Ca 0.04 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.45 3d9o h GLN 45 Cb 0.13 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 3d9o h GLN 45 CO -0.01 0.22 0.25 1.03 -1.93 0.00 0.00 178.83 178.40 3d9o h SER 46 N 0.35 0.44 -0.64 -0.69 0.87 -1.17 -0.67 113.55 112.03 3d9o h SER 46 Ca 0.29 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.82 3d9o h SER 46 Cb 0.37 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.19 3d9o h SER 46 CO -0.31 0.32 0.33 0.58 -0.53 0.00 0.00 176.83 177.21 3d9o h VAL 47 N 0.52 1.21 -0.37 2.23 2.07 -1.06 -0.95 116.25 119.91 3d9o h VAL 47 Ca 0.14 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 3d9o h VAL 47 Cb -0.05 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 3d9o h VAL 47 CO -0.03 0.24 0.16 -0.33 0.02 0.00 0.00 177.57 177.62 3d9o h GLU 48 N 0.88 0.54 -0.60 1.57 5.08 -1.11 -1.15 114.58 119.79 3d9o h GLU 48 Ca 0.22 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 3d9o h GLU 48 Cb 0.09 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3d9o h GLU 48 CO -0.03 0.51 0.24 0.87 -1.00 0.00 0.00 179.01 179.60 3d9o h LYS 49 N 0.45 0.87 -0.36 2.33 1.57 -1.00 0.16 116.57 120.58 3d9o h LYS 49 Ca 0.12 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3d9o h LYS 49 Cb 0.16 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3d9o h LYS 49 CO -0.01 0.72 0.17 0.35 -0.57 0.00 0.00 179.45 180.10 3d9o h PHE 50 N 0.86 0.52 -0.69 -1.35 3.57 -0.82 -1.42 116.94 117.62 3d9o h PHE 50 Ca 0.20 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.61 3d9o h PHE 50 Cb 0.17 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 3d9o h PHE 50 CO 0.01 0.46 0.15 0.82 -2.23 0.00 0.00 178.31 177.52 3d9o h ILE 51 N 0.44 1.26 -0.56 1.41 2.04 -0.90 -0.35 117.51 120.86 3d9o h ILE 51 Ca 0.12 -0.98 -0.05 0.00 1.00 0.00 0.00 64.86 64.96 3d9o h ILE 51 Cb 0.13 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3d9o h ILE 51 CO -0.01 0.37 0.16 -0.61 0.00 0.00 0.00 178.15 178.06 3d9o h GLN 52 N 1.05 0.87 0.00 2.37 4.15 -0.72 -3.34 115.11 119.49 3d9o h GLN 52 Ca 0.22 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.44 3d9o h GLN 52 Cb 0.38 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.95 3d9o h GLN 52 CO 0.00 0.80 -1.37 1.63 -1.93 0.00 0.00 178.83 177.96 3d9o n LYS 53 N -4.43 0.58 -1.50 1.69 5.02 -0.56 -5.00 118.16 113.96 3d9o n LYS 53 Ca 0.02 -0.08 -0.31 0.00 -2.02 0.00 0.00 58.31 55.92 3d9o n LYS 53 Cb 0.21 -1.45 0.06 0.00 -0.02 0.00 0.00 35.03 33.83 3d9o n LYS 53 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3d9o s LYS 55 N -5.02 2.45 0.44 0.00 1.02 -1.26 -4.90 119.74 112.48 3d9o s LYS 55 Ca 0.59 1.63 0.22 0.00 0.02 0.00 0.00 55.97 58.43 3d9o s LYS 55 Cb -0.15 -1.89 1.21 0.00 -0.52 0.00 0.00 37.83 36.49 3d9o s LYS 55 CO 0.55 -1.56 1.81 -1.35 -0.92 0.00 0.00 175.35 173.88 3d9o h PRO 56 N -0.07 0.29 0.00 -1.68 0.11 -1.96 -0.74 132.00 127.94 3d9o h PRO 56 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3d9o h PRO 56 Cb 1.28 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3d9o h PRO 56 CO 0.52 0.19 0.00 1.05 -0.21 0.00 0.00 178.00 179.55 3d9o h GLU 57 N 0.29 0.00 -0.16 1.05 9.09 -1.92 -2.96 114.58 119.97 3d9o h GLU 57 Ca 0.54 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.95 3d9o h GLU 57 Cb 1.56 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.66 3d9o h GLU 57 CO -0.19 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.53 3d9o n TYR 58 N -3.06 0.19 0.17 2.06 4.01 -0.28 -4.47 117.16 115.76 3d9o n TYR 58 Ca -0.00 -0.09 -0.14 0.00 -0.16 0.00 0.00 57.90 57.50 3d9o n TYR 58 Cb 0.24 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.19 3d9o n TYR 58 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3d9o h LYS 59 N 4.61 -0.36 -0.30 -0.72 1.79 -1.57 0.19 116.57 120.20 3d9o h LYS 59 Ca 0.00 0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 3d9o h LYS 59 Cb 0.99 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.71 3d9o h LYS 59 CO 0.00 -0.19 0.15 0.28 -1.08 0.00 0.00 179.45 178.61 3d9o h VAL 60 N -0.45 1.15 -0.94 0.50 2.07 -1.80 -0.77 116.25 116.01 3d9o h VAL 60 Ca -0.04 -0.43 0.22 0.00 0.82 0.00 0.00 66.70 67.27 3d9o h VAL 60 Cb 0.34 0.88 -0.12 0.00 -1.52 0.00 0.00 31.29 30.87 3d9o h VAL 60 CO 0.06 0.16 0.49 -0.65 0.02 0.00 0.00 177.57 177.65 3d9o h PRO 61 N 0.35 0.50 -0.65 1.57 0.11 -1.78 0.13 132.00 132.23 3d9o h PRO 61 Ca 0.10 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 3d9o h PRO 61 Cb 0.12 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 3d9o h PRO 61 CO -0.01 0.33 0.35 0.78 -0.21 0.00 0.00 178.00 179.23 3d9o h GLY 62 N 0.51 0.97 1.08 -0.55 0.00 0.45 -1.60 103.07 103.93 3d9o h GLY 62 Ca 0.59 -0.44 -0.10 0.00 0.00 0.00 0.00 47.33 47.38 3d9o h GLY 62 CO -0.49 0.42 -0.01 -2.00 0.00 0.00 0.00 176.54 174.47 3d9o h LEU 63 N 0.88 1.05 -1.71 3.11 5.85 -0.42 -2.52 115.31 121.55 3d9o h LEU 63 Ca 0.23 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.65 3d9o h LEU 63 Cb 0.05 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 3d9o h LEU 63 CO -0.04 1.10 0.22 1.88 -0.34 0.00 0.00 178.44 181.27 3d9o h TYR 64 N 0.97 0.37 -0.14 1.25 0.05 -0.39 -0.21 116.97 118.88 3d9o h TYR 64 Ca 0.17 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.95 3d9o h TYR 64 Cb 0.57 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.18 3d9o h TYR 64 CO 0.04 0.23 0.04 0.28 -1.05 0.00 0.00 178.16 177.70 3d9o h VAL 65 N 0.40 1.17 -0.03 -2.88 2.07 -0.88 0.13 116.25 116.23 3d9o h VAL 65 Ca 0.13 -0.53 0.02 0.00 0.82 0.00 0.00 66.70 67.14 3d9o h VAL 65 Cb 0.04 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3d9o h VAL 65 CO -0.03 0.16 -0.11 0.40 0.02 0.00 0.00 177.57 178.01 3d9o h ILE 66 N 0.04 0.70 -0.12 4.57 2.04 -1.16 -1.24 117.51 122.35 3d9o h ILE 66 Ca 0.04 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.95 3d9o h ILE 66 Cb 0.21 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 3d9o h ILE 66 CO -0.00 0.00 -0.19 -0.78 0.00 0.00 0.00 178.15 177.18 3d9o h ASP 67 N -0.18 -0.57 -0.69 1.72 3.58 -0.96 -0.15 116.42 119.17 3d9o h ASP 67 Ca 0.05 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.60 3d9o h ASP 67 Cb 0.25 0.26 -0.03 0.00 1.72 0.00 0.00 39.33 41.53 3d9o h ASP 67 CO -0.14 -0.24 0.44 -1.28 -2.88 0.00 0.00 179.24 175.15 3d9o h SER 68 N -0.24 0.80 0.10 2.28 0.87 -0.63 -0.58 113.55 116.15 3d9o h SER 68 Ca 0.09 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 3d9o h SER 68 Cb 0.38 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 3d9o h SER 68 CO -0.26 0.59 -0.05 0.40 -0.53 0.00 0.00 176.83 176.99 3d9o h ILE 69 N 0.93 1.08 -0.49 2.23 2.04 -0.89 -1.50 117.51 120.91 3d9o h ILE 69 Ca 0.25 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 3d9o h ILE 69 Cb -0.08 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 3d9o h ILE 69 CO -0.05 0.17 0.24 0.58 0.00 0.00 0.00 178.15 179.09 3d9o h VAL 70 N -0.46 1.19 -0.36 1.67 2.07 -0.97 -0.58 116.25 118.80 3d9o h VAL 70 Ca -0.01 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 3d9o h VAL 70 Cb 0.38 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3d9o h VAL 70 CO 0.02 0.21 0.15 0.03 0.02 0.00 0.00 177.57 178.00 3d9o h ARG 71 N 0.65 0.54 -0.60 1.57 3.08 -1.11 -0.53 114.38 117.98 3d9o h ARG 71 Ca 0.17 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 3d9o h ARG 71 Cb 0.10 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 3d9o h ARG 71 CO -0.02 0.52 0.23 0.37 -1.07 0.00 0.00 179.97 180.00 3d9o h GLN 72 N 0.44 0.91 -0.45 0.04 5.75 -1.14 -1.42 115.11 119.24 3d9o h GLN 72 Ca 0.12 -0.17 -0.04 0.00 -0.15 0.00 0.00 58.65 58.41 3d9o h GLN 72 Cb 0.18 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 3d9o h GLN 72 CO -0.01 0.78 0.12 1.03 -2.65 0.00 0.00 178.83 178.10 3d9o h SER 73 N 0.84 0.67 -0.48 -0.69 0.87 -0.90 0.20 113.55 114.06 3d9o h SER 73 Ca 0.20 -0.22 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 3d9o h SER 73 Cb 0.22 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 3d9o h SER 73 CO -0.01 0.72 0.30 0.03 -0.53 0.00 0.00 176.83 177.33 3d9o h ARG 74 N 0.59 0.65 -0.08 2.24 3.08 -0.99 0.83 114.38 120.70 3d9o h ARG 74 Ca 0.14 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3d9o h ARG 74 Cb 0.30 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 3d9o h ARG 74 CO -0.00 0.47 0.05 1.25 -1.07 0.00 0.00 179.97 180.67 3d9o h HIS 75 N 0.64 0.10 -0.19 3.04 2.76 -0.99 -0.99 115.15 119.52 3d9o h HIS 75 Ca 0.17 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.21 3d9o h HIS 75 Cb -0.02 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 28.91 3d9o h HIS 75 CO -0.03 0.08 -0.42 0.37 -1.30 0.00 0.00 177.93 176.63 3d9o h GLN 76 N 0.09 0.63 0.00 5.26 4.15 -0.37 -3.37 115.11 121.49 3d9o h GLN 76 Ca 0.03 -0.41 0.00 0.00 0.77 0.00 0.00 58.65 59.03 3d9o h GLN 76 Cb 0.01 0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.76 3d9o h GLN 76 CO -0.01 1.03 -0.89 1.19 -1.93 0.00 0.00 178.83 178.23 3d9o n PHE 77 N -4.23 0.00 0.00 3.99 3.72 0.26 -5.08 117.46 116.12 3d9o n PHE 77 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 3d9o n PHE 77 Cb 0.55 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 3d9o n PHE 77 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3d9o n GLY 78 N 1.43 2.49 0.28 1.37 0.00 -0.38 -4.43 105.19 105.95 3d9o n GLY 78 Ca 0.01 -1.70 -0.04 0.00 0.00 0.00 0.00 46.02 44.29 3d9o n GLY 78 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3d9o h GLN 79 N 0.00 0.93 0.00 1.61 4.20 -1.86 -1.62 115.11 118.36 3d9o h GLN 79 Ca 0.00 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 3d9o h GLN 79 Cb 0.00 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.57 3d9o h GLN 79 CO 0.00 0.62 -0.10 0.93 -0.67 0.00 0.00 178.83 179.60 3d9o h GLU 80 N 0.96 0.00 0.00 1.46 4.39 -1.91 -3.28 114.58 116.20 3d9o h GLU 80 Ca 0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.97 3d9o h GLU 80 Cb -0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 3d9o h GLU 80 CO -0.07 0.10 -1.20 1.63 -1.16 0.00 0.00 179.01 178.31 3d9o n LYS 81 N -3.15 0.14 -1.67 2.33 4.76 -1.07 -4.95 118.16 114.55 3d9o n LYS 81 Ca 0.03 -0.04 -0.47 0.00 -2.87 0.00 0.00 58.31 54.95 3d9o n LYS 81 Cb 0.51 -1.51 -0.05 0.00 -1.84 0.00 0.00 35.03 32.15 3d9o n LYS 81 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3d9o n ASP 82 N -1.66 3.04 0.09 4.39 2.03 -0.63 -4.90 116.55 118.91 3d9o n ASP 82 Ca 0.02 1.06 0.10 0.00 0.52 0.00 0.00 54.79 56.50 3d9o n ASP 82 Cb 0.38 -1.39 -0.02 0.00 -0.72 0.00 0.00 41.12 39.37 3d9o n ASP 82 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3d9o n VAL 83 N 3.78 0.63 -0.04 5.18 0.24 -1.26 -4.56 118.33 122.29 3d9o n VAL 83 Ca 0.19 -0.56 -0.14 0.00 -2.04 0.00 0.00 64.34 61.79 3d9o n VAL 83 Cb 0.28 -0.35 -0.12 0.00 -1.47 0.00 0.00 33.84 32.18 3d9o n VAL 83 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 3d9o h PHE 84 N 0.00 0.05 -0.07 6.34 0.04 -1.95 -2.73 116.94 118.62 3d9o h PHE 84 Ca -0.02 -0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.73 3d9o h PHE 84 Cb 1.06 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.20 3d9o h PHE 84 CO 0.00 0.83 0.02 0.00 -0.60 0.00 0.00 178.31 178.56 3d9o h ALA 85 N 0.21 0.07 -0.74 2.45 0.00 -1.90 0.14 119.26 119.49 3d9o h ALA 85 Ca -0.01 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.02 3d9o h ALA 85 Cb 0.84 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.55 3d9o h ALA 85 CO 0.01 -0.45 0.35 -1.35 0.00 0.00 0.00 179.25 177.81 3d9o h PRO 86 N 0.06 0.55 -0.23 0.00 0.11 -1.81 -0.62 132.00 130.06 3d9o h PRO 86 Ca 0.03 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.04 3d9o h PRO 86 Cb 0.01 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 30.99 3d9o h PRO 86 CO -0.03 0.37 -0.10 -0.09 -0.21 0.00 0.00 178.00 177.94 3d9o h ARG 87 N 0.57 0.47 -0.36 1.05 9.65 -1.14 -2.92 114.38 121.71 3d9o h ARG 87 Ca 0.38 -0.20 0.05 0.00 -1.10 0.00 0.00 59.98 59.11 3d9o h ARG 87 Cb 0.47 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.01 3d9o h ARG 87 CO -0.31 0.74 0.24 0.74 2.80 0.00 0.00 179.97 184.18 3d9o h PHE 88 N 0.19 0.28 -0.08 2.20 0.04 -0.59 -2.88 116.94 116.10 3d9o h PHE 88 Ca 0.05 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 3d9o h PHE 88 Cb 0.59 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.65 3d9o h PHE 88 CO 0.06 0.16 -0.01 0.77 -0.60 0.00 0.00 178.31 178.69 3d9o h SER 89 N 0.28 0.10 -0.28 2.17 0.02 -0.90 -2.79 113.55 112.15 3d9o h SER 89 Ca 0.15 -0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.16 3d9o h SER 89 Cb 0.26 -0.03 -0.07 0.00 0.14 0.00 0.00 62.40 62.70 3d9o h SER 89 CO -0.03 0.13 -0.25 0.78 -1.14 0.00 0.00 176.83 176.32 3d9o h ASN 90 N 0.11 -0.81 -0.39 3.07 4.21 -1.55 -3.01 115.58 117.22 3d9o h ASN 90 Ca 0.03 0.15 0.00 0.00 1.21 0.00 0.00 56.30 57.69 3d9o h ASN 90 Cb 0.10 0.38 0.00 0.00 -1.12 0.00 0.00 38.32 37.68 3d9o h ASN 90 CO 0.00 -0.28 0.00 0.59 -1.29 0.00 0.00 177.43 176.45 3d9o n ASN 91 N -5.38 3.68 0.02 5.81 3.02 -1.22 -4.76 115.26 116.42 3d9o n ASN 91 Ca -0.00 -2.44 0.04 0.00 -0.03 0.00 0.00 54.58 52.15 3d9o n ASN 91 Cb 0.30 -0.42 0.44 0.00 -0.61 0.00 0.00 39.78 39.49 3d9o n ASN 91 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3d9o h ILE 92 N 2.43 1.09 -0.10 2.41 2.10 -1.35 -1.06 117.51 123.05 3d9o h ILE 92 Ca 0.00 -0.18 -0.00 0.00 1.08 0.00 0.00 64.86 65.76 3d9o h ILE 92 Cb 1.14 0.54 -0.00 0.00 -1.09 0.00 0.00 36.82 37.40 3d9o h ILE 92 CO 0.13 0.09 0.05 0.40 -1.08 0.00 0.00 178.15 177.74 3d9o h ILE 93 N 0.51 1.09 -0.59 2.19 1.08 -1.85 -0.48 117.51 119.45 3d9o h ILE 93 Ca 0.14 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 3d9o h ILE 93 Cb -0.05 1.08 -0.03 0.00 -3.07 0.00 0.00 36.82 34.75 3d9o h ILE 93 CO -0.03 0.08 0.37 0.28 -0.69 0.00 0.00 178.15 178.16 3d9o h SER 94 N 0.06 0.69 -0.65 1.72 0.02 -1.81 -1.36 113.55 112.24 3d9o h SER 94 Ca 0.03 -0.04 0.07 0.00 -0.84 0.00 0.00 61.79 61.02 3d9o h SER 94 Cb 0.08 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 62.38 3d9o h SER 94 CO -0.01 0.53 0.33 0.74 -1.14 0.00 0.00 176.83 177.28 3d9o h THR 95 N 0.80 0.90 0.00 -2.27 2.02 -0.88 -2.16 112.91 111.32 3d9o h THR 95 Ca 0.21 -0.20 -0.13 0.00 0.77 0.00 0.00 66.41 67.06 3d9o h THR 95 Cb -0.06 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.59 3d9o h THR 95 CO -0.04 0.11 -0.62 -0.26 0.37 0.00 0.00 175.52 175.08 3d9o h PHE 96 N 0.59 0.00 -0.70 3.16 -1.00 -0.83 -0.95 116.94 117.21 3d9o h PHE 96 Ca 0.30 0.00 0.06 0.00 2.81 0.00 0.00 57.97 61.15 3d9o h PHE 96 Cb 0.27 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 39.77 3d9o h PHE 96 CO -0.10 0.62 0.39 0.37 -1.61 0.00 0.00 178.31 177.98 3d9o h GLN 97 N 0.00 0.70 -0.27 1.51 4.15 -0.65 -1.16 115.11 119.39 3d9o h GLN 97 Ca -0.01 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.33 3d9o h GLN 97 Cb 1.19 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.71 3d9o h GLN 97 CO 0.08 0.46 -0.00 -0.91 -1.93 0.00 0.00 178.83 176.53 3d9o h ASN 98 N 0.72 0.47 -0.69 -0.69 2.35 -1.12 -3.24 115.58 113.38 3d9o h ASN 98 Ca 0.31 -0.31 0.04 0.00 -0.55 0.00 0.00 56.30 55.79 3d9o h ASN 98 Cb 0.20 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 3d9o h ASN 98 CO -0.19 0.67 0.46 -0.07 -1.65 0.00 0.00 177.43 176.64 3d9o h LEU 99 N 0.26 0.71 0.00 1.61 3.38 -0.84 -2.09 115.31 118.34 3d9o h LEU 99 Ca 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3d9o h LEU 99 Cb 0.42 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3d9o h LEU 99 CO 0.01 0.48 0.00 -1.22 0.09 0.00 0.00 178.44 177.81 3d9o n TYR 100 N -4.46 0.00 -0.16 1.13 4.01 -0.47 -1.96 117.16 115.25 3d9o n TYR 100 Ca 0.09 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.86 3d9o n TYR 100 Cb 0.14 0.00 0.23 0.00 -0.31 0.00 0.00 39.34 39.40 3d9o n TYR 100 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3d9o n ARG 101 N -1.00 3.24 -1.52 -0.72 1.74 -0.79 -4.92 116.66 112.70 3d9o n ARG 101 Ca 0.17 -1.89 -0.29 0.00 -0.77 0.00 0.00 57.85 55.07 3d9o n ARG 101 Cb 0.08 -1.95 0.13 0.00 -1.02 0.00 0.00 32.46 29.71 3d9o n ARG 101 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3d9o s PRO 103 N -5.26 3.24 0.31 0.00 0.02 -1.26 -4.90 135.00 127.15 3d9o s PRO 103 Ca 0.64 2.05 0.07 0.00 0.02 0.00 0.00 61.00 63.78 3d9o s PRO 103 Cb -0.15 -2.23 0.81 0.00 0.02 0.00 0.00 34.50 32.95 3d9o s PRO 103 CO 0.53 -1.05 1.72 0.78 -0.33 0.00 0.00 177.00 178.66 3d9o h GLY 104 N 1.48 1.75 2.00 0.52 0.00 -1.95 0.20 103.07 107.07 3d9o h GLY 104 Ca -0.50 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 46.56 3d9o h GLY 104 CO 0.57 -0.23 0.00 -0.55 0.00 0.00 0.00 176.54 176.33 3d9o h ASP 105 N 0.53 0.00 0.98 0.19 5.19 -2.04 -2.88 116.42 118.40 3d9o h ASP 105 Ca 0.60 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.01 3d9o h ASP 105 Cb 1.12 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.63 3d9o h ASP 105 CO -0.48 0.00 -0.39 0.47 -3.12 0.00 0.00 179.24 175.72 3d9o n ASP 106 N -2.83 0.63 0.08 6.45 9.92 0.68 -4.05 116.55 127.43 3d9o n ASP 106 Ca 0.00 0.22 0.05 0.00 -0.53 0.00 0.00 54.79 54.53 3d9o n ASP 106 Cb 0.22 -0.13 0.47 0.00 -0.64 0.00 0.00 41.12 41.04 3d9o n ASP 106 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 3d9o h LYS 107 N 0.00 0.37 -0.13 -1.24 3.64 -1.53 -2.35 116.57 115.33 3d9o h LYS 107 Ca 0.00 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 3d9o h LYS 107 Cb 0.69 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 3d9o h LYS 107 CO 0.00 0.28 -0.30 0.66 -2.27 0.00 0.00 179.45 177.82 3d9o h SER 108 N 0.38 0.25 -0.10 4.20 4.64 -1.79 -2.66 113.55 118.45 3d9o h SER 108 Ca 0.10 -0.08 -0.06 0.00 -0.47 0.00 0.00 61.79 61.28 3d9o h SER 108 Cb 0.02 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 3d9o h SER 108 CO -0.02 0.55 -0.10 0.11 -0.87 0.00 0.00 176.83 176.50 3d9o h LYS 109 N 0.22 0.42 -0.07 4.77 1.57 -1.67 -2.20 116.57 119.61 3d9o h LYS 109 Ca 0.03 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 3d9o h LYS 109 Cb 0.64 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.90 3d9o h LYS 109 CO 0.05 0.53 -0.16 0.82 -0.57 0.00 0.00 179.45 180.11 3d9o h ILE 110 N 0.39 1.41 -0.88 1.86 2.04 -1.46 -2.72 117.51 118.16 3d9o h ILE 110 Ca 0.08 -1.48 0.01 0.00 1.00 0.00 0.00 64.86 64.47 3d9o h ILE 110 Cb 0.42 2.20 -0.04 0.00 -0.74 0.00 0.00 36.82 38.66 3d9o h ILE 110 CO 0.02 0.42 0.58 0.58 0.00 0.00 0.00 178.15 179.75 3d9o h VAL 111 N -0.24 1.22 -0.36 1.67 2.07 -1.44 -0.51 116.25 118.66 3d9o h VAL 111 Ca 0.00 -0.41 0.02 0.00 0.82 0.00 0.00 66.70 67.13 3d9o h VAL 111 Cb 0.76 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 3d9o h VAL 111 CO 0.04 0.22 0.21 0.03 0.02 0.00 0.00 177.57 178.08 3d9o h ARG 112 N 1.19 0.42 -0.34 1.57 3.08 -1.39 0.29 114.38 119.19 3d9o h ARG 112 Ca 0.32 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.37 3d9o h ARG 112 Cb -0.13 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.80 3d9o h ARG 112 CO -0.07 0.27 0.19 0.28 -1.07 0.00 0.00 179.97 179.57 3d9o h VAL 113 N 0.43 1.01 -0.85 2.04 2.07 -1.08 -1.27 116.25 118.61 3d9o h VAL 113 Ca 0.14 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 3d9o h VAL 113 Cb 0.00 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 3d9o h VAL 113 CO -0.07 0.07 0.49 -0.07 0.02 0.00 0.00 177.57 178.01 3d9o h LEU 114 N 0.38 1.03 -1.08 2.57 3.38 -0.67 0.13 115.31 121.06 3d9o h LEU 114 Ca 0.14 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.06 3d9o h LEU 114 Cb 0.03 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 3d9o h LEU 114 CO -0.08 0.81 0.62 0.78 0.09 0.00 0.00 178.44 180.66 3d9o h ASN 115 N 1.17 1.04 -0.12 -0.43 2.35 -0.06 -0.47 115.58 119.06 3d9o h ASN 115 Ca 0.30 -0.02 -0.22 0.00 -0.55 0.00 0.00 56.30 55.81 3d9o h ASN 115 Cb -0.01 -0.24 0.01 0.00 0.05 0.00 0.00 38.32 38.12 3d9o h ASN 115 CO -0.05 0.72 -0.79 -0.07 -1.65 0.00 0.00 177.43 175.59 3d9o h LEU 116 N 1.21 0.90 -0.48 1.61 3.38 -0.70 -1.19 115.31 120.04 3d9o h LEU 116 Ca 0.37 -0.65 0.07 0.00 0.09 0.00 0.00 57.88 57.75 3d9o h LEU 116 Cb -0.03 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.40 3d9o h LEU 116 CO -0.11 1.41 0.16 -0.50 0.09 0.00 0.00 178.44 179.50 3d9o h TRP 117 N 0.46 0.28 -0.12 1.13 6.55 -0.72 -1.02 115.95 122.51 3d9o h TRP 117 Ca -0.06 0.02 -0.00 0.00 0.95 0.00 0.00 58.89 59.80 3d9o h TRP 117 Cb 1.43 -0.05 -0.01 0.00 -0.86 0.00 0.00 29.16 29.67 3d9o h TRP 117 CO 0.09 0.09 0.06 0.37 -1.05 0.00 0.00 178.44 178.00 3d9o h GLN 118 N 0.33 0.18 -0.88 0.49 4.15 -0.96 -0.22 115.11 118.20 3d9o h GLN 118 Ca 0.23 -0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.70 3d9o h GLN 118 Cb 0.25 -0.03 -0.06 0.00 0.21 0.00 0.00 27.48 27.84 3d9o h GLN 118 CO -0.24 0.23 0.54 -0.22 -1.93 0.00 0.00 178.83 177.20 3d9o h LYS 119 N 0.08 0.94 -0.36 1.69 3.11 -1.01 -2.78 116.57 118.24 3d9o h LYS 119 Ca 0.04 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 3d9o h LYS 119 Cb 0.11 -0.21 0.00 0.00 -1.00 0.00 0.00 32.23 31.13 3d9o h LYS 119 CO -0.01 0.62 0.00 0.09 -2.81 0.00 0.00 179.45 177.35 3d9o n ASN 120 N -4.63 2.77 -3.93 4.20 3.02 -0.40 -4.96 115.26 111.33 3d9o n ASN 120 Ca 0.13 -1.91 -0.28 0.00 -0.03 0.00 0.00 54.58 52.49 3d9o n ASN 120 Cb 0.20 -0.23 0.01 0.00 -0.61 0.00 0.00 39.78 39.14 3d9o n ASN 120 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3d9o n ASN 121 N 1.03 -2.48 -0.05 6.41 3.02 -0.26 -4.89 115.26 118.04 3d9o n ASN 121 Ca 0.18 -0.89 -0.09 0.00 -0.03 0.00 0.00 54.58 53.75 3d9o n ASN 121 Cb 0.48 -3.50 0.07 0.00 -0.61 0.00 0.00 39.78 36.22 3d9o n ASN 121 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3d9o h VAL 122 N -1.87 1.29 -2.89 2.41 2.07 -1.40 -3.44 116.25 112.42 3d9o h VAL 122 Ca -0.60 -1.54 -0.45 0.00 0.82 0.00 0.00 66.70 64.93 3d9o h VAL 122 Cb 1.37 1.47 -0.14 0.00 -1.52 0.00 0.00 31.29 32.47 3d9o h VAL 122 CO 0.65 0.50 -0.68 -0.36 0.02 0.00 0.00 177.57 177.70 3d9o s PHE 123 N -4.32 1.78 0.59 1.57 0.40 -1.26 -4.93 117.98 111.80 3d9o s PHE 123 Ca -0.09 -0.75 -0.16 0.00 -0.60 0.00 0.00 56.93 55.34 3d9o s PHE 123 Cb 0.12 -1.00 -0.04 0.00 0.51 0.00 0.00 43.02 42.61 3d9o s PHE 123 CO 0.84 0.19 1.06 0.21 0.70 0.00 0.00 175.22 178.23 3d9o s LYS 124 N -3.75 3.32 0.51 0.44 2.47 -1.26 -4.82 119.74 116.65 3d9o s LYS 124 Ca 0.28 1.25 0.27 0.00 -1.56 0.00 0.00 55.97 56.21 3d9o s LYS 124 Cb 0.04 -2.03 1.37 0.00 -1.46 0.00 0.00 37.83 35.75 3d9o s LYS 124 CO 0.10 -0.81 1.91 1.03 0.16 0.00 0.00 175.35 177.74 3d9o h SER 125 N 0.54 0.09 1.18 1.43 0.87 -1.98 0.16 113.55 115.84 3d9o h SER 125 Ca -0.47 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 3d9o h SER 125 Cb 1.22 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 3d9o h SER 125 CO 0.57 0.04 0.00 1.05 -0.53 0.00 0.00 176.83 177.96 3d9o h GLU 126 N 0.09 0.00 0.02 2.24 4.11 -2.01 -0.48 114.58 118.56 3d9o h GLU 126 Ca 0.38 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.58 3d9o h GLU 126 Cb 1.39 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.61 3d9o h GLU 126 CO -0.04 0.00 -1.26 0.82 0.07 0.00 0.00 179.01 178.60 3d9o h ILE 127 N 0.00 0.95 -0.42 -1.06 1.08 -1.12 -3.42 117.51 113.52 3d9o h ILE 127 Ca 0.00 -2.22 -0.12 0.00 -0.39 0.00 0.00 64.86 62.13 3d9o h ILE 127 Cb 0.59 2.36 -0.01 0.00 -3.07 0.00 0.00 36.82 36.70 3d9o h ILE 127 CO 0.00 0.42 -0.22 0.40 -0.69 0.00 0.00 178.15 178.06 3d9o h ILE 128 N -0.84 1.28 -0.15 -0.67 2.04 -1.05 -3.31 117.51 114.81 3d9o h ILE 128 Ca -0.33 -1.37 0.04 0.00 1.00 0.00 0.00 64.86 64.20 3d9o h ILE 128 Cb 1.39 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 38.69 3d9o h ILE 128 CO -0.15 0.46 -0.11 -0.61 0.00 0.00 0.00 178.15 177.74 3d9o h GLN 129 N 0.71 -0.12 -0.44 2.37 5.75 -1.33 -0.82 115.11 121.23 3d9o h GLN 129 Ca 0.09 0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.64 3d9o h GLN 129 Cb 0.78 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.34 3d9o h GLN 129 CO 0.06 -0.08 0.29 -1.35 -2.65 0.00 0.00 178.83 175.11 3d9o h PRO 130 N -0.12 0.41 -0.45 -2.39 0.11 -1.80 0.24 132.00 128.00 3d9o h PRO 130 Ca 0.09 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.14 3d9o h PRO 130 Cb 0.26 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 3d9o h PRO 130 CO -0.22 0.27 0.12 -0.07 -0.21 0.00 0.00 178.00 177.89 3d9o h LEU 131 N 0.42 0.68 -0.66 2.35 3.38 -1.41 -2.92 115.31 117.14 3d9o h LEU 131 Ca 0.18 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3d9o h LEU 131 Cb 0.21 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3d9o h LEU 131 CO -0.04 0.72 0.33 -0.07 0.09 0.00 0.00 178.44 179.47 3d9o h LEU 132 N 0.60 0.85 -1.76 1.67 3.38 -0.42 -2.79 115.31 116.84 3d9o h LEU 132 Ca 0.14 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3d9o h LEU 132 Cb 0.31 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3d9o h LEU 132 CO -0.00 0.73 0.00 0.47 0.09 0.00 0.00 178.44 179.73 3d9o n ASP 133 N -4.49 0.00 0.00 -0.43 8.00 0.78 -2.04 116.55 118.38 3d9o n ASP 133 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.55 3d9o n ASP 133 Cb 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 3d9o n ASP 133 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3d9o n ALA 135 N 0.84 0.00 -0.07 2.24 0.00 -1.05 -1.51 120.51 120.95 3d9o n ALA 135 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3d9o n ALA 135 Cb 0.00 0.00 0.31 0.00 0.00 0.00 0.00 19.45 19.76 3d9o n ALA 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d9o h ALA 136 N 0.00 1.47 0.00 0.00 0.00 -1.72 -3.05 119.26 115.96 3d9o h ALA 136 Ca 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3d9o h ALA 136 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3d9o h ALA 136 CO 0.00 0.42 -0.17 0.00 0.00 0.00 0.00 179.25 179.50 3d9o h ALA 137 N 1.56 0.96 0.00 0.00 0.00 -1.56 -3.55 119.26 116.67 3d9o h ALA 137 Ca 0.17 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3d9o h ALA 137 Cb 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3d9o h ALA 137 CO -0.02 0.21 0.00 1.28 0.00 0.00 0.00 179.25 180.72