#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d9i h ALA 3 N 0.00 0.47 -0.19 4.31 0.00 -1.99 0.14 119.26 122.00 3d9i h ALA 3 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3d9i h ALA 3 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3d9i h ALA 3 CO 0.00 -0.15 -0.35 0.28 0.00 0.00 0.00 179.25 179.03 3d9i h VAL 4 N 0.42 1.33 -0.66 0.00 2.07 -1.94 -1.73 116.25 115.74 3d9i h VAL 4 Ca 0.15 -1.58 0.09 0.00 0.82 0.00 0.00 66.70 66.18 3d9i h VAL 4 Cb 0.03 1.87 -0.07 0.00 -1.52 0.00 0.00 31.29 31.61 3d9i h VAL 4 CO -0.09 0.49 0.30 0.11 0.02 0.00 0.00 177.57 178.39 3d9i h LYS 5 N 0.25 0.50 -0.41 1.57 1.57 -1.96 0.13 116.57 118.22 3d9i h LYS 5 Ca 0.01 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3d9i h LYS 5 Cb 0.95 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 3d9i h LYS 5 CO 0.08 0.33 0.16 1.15 -0.57 0.00 0.00 179.45 180.59 3d9i h THR 6 N 0.51 1.20 -0.13 -0.16 2.02 -0.65 -1.66 112.91 114.06 3d9i h THR 6 Ca 0.32 -0.63 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 3d9i h THR 6 Cb 0.36 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 3d9i h THR 6 CO -0.28 0.23 0.07 0.15 0.37 0.00 0.00 175.52 176.06 3d9i h PHE 7 N 0.51 0.17 -0.74 3.16 3.57 -0.78 -2.32 116.94 120.50 3d9i h PHE 7 Ca 0.13 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.71 3d9i h PHE 7 Cb 0.20 -0.05 -0.07 0.00 2.79 0.00 0.00 35.95 38.82 3d9i h PHE 7 CO 0.00 0.16 0.41 -0.91 -2.23 0.00 0.00 178.31 175.74 3d9i h ASN 8 N 0.13 0.58 -0.13 0.41 2.35 -0.60 -0.10 115.58 118.22 3d9i h ASN 8 Ca 0.04 0.04 0.01 0.00 -0.55 0.00 0.00 56.30 55.85 3d9i h ASN 8 Cb 0.04 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 3d9i h ASN 8 CO -0.01 0.35 0.06 -1.28 -1.65 0.00 0.00 177.43 174.90 3d9i h SER 9 N 0.71 0.08 -0.33 5.81 0.87 -1.17 -0.42 113.55 119.11 3d9i h SER 9 Ca 0.35 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.88 3d9i h SER 9 Cb 0.29 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 3d9i h SER 9 CO -0.23 0.07 0.08 -0.33 -0.53 0.00 0.00 176.83 175.88 3d9i h GLU 10 N 0.13 0.53 -0.15 2.24 5.08 -0.99 -2.06 114.58 119.35 3d9i h GLU 10 Ca 0.05 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3d9i h GLU 10 Cb 0.01 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3d9i h GLU 10 CO -0.04 0.59 0.08 1.25 -1.00 0.00 0.00 179.01 179.90 3d9i h LEU 11 N 0.37 0.13 -0.19 1.33 5.85 -0.91 -2.92 115.31 118.97 3d9i h LEU 11 Ca 0.10 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3d9i h LEU 11 Cb 0.30 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.31 3d9i h LEU 11 CO 0.00 0.10 0.00 -1.22 -0.34 0.00 0.00 178.44 176.98 3d9i n TYR 12 N -5.01 0.48 0.32 1.25 4.02 -0.18 -2.57 117.16 115.47 3d9i n TYR 12 Ca -0.04 0.16 0.14 0.00 -0.01 0.00 0.00 57.90 58.16 3d9i n TYR 12 Cb 0.04 -0.76 0.64 0.00 -0.02 0.00 0.00 39.34 39.24 3d9i n TYR 12 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3d9i h SER 13 N 0.00 0.00 -0.49 7.72 4.64 -1.17 -2.81 113.55 121.45 3d9i h SER 13 Ca 0.00 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.39 3d9i h SER 13 Cb 0.48 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.54 3d9i h SER 13 CO 0.00 0.00 0.33 -0.07 -0.87 0.00 0.00 176.83 176.22 3d9i h LEU 14 N 0.00 0.32 0.00 5.97 3.38 -1.63 -2.46 115.31 120.89 3d9i h LEU 14 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3d9i h LEU 14 Cb 0.29 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3d9i h LEU 14 CO 0.00 0.20 0.00 0.23 0.09 0.00 0.00 178.44 178.96 3d9i n MET 15 N -4.47 0.05 -0.26 1.13 2.81 -1.06 -1.72 117.12 113.59 3d9i n MET 15 Ca 0.07 0.27 0.10 0.00 -1.81 0.00 0.00 57.70 56.33 3d9i n MET 15 Cb 0.30 -1.50 0.24 0.00 -0.71 0.00 0.00 33.22 31.55 3d9i n MET 15 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3d9i n ASP 16 N -1.44 3.49 -4.38 7.83 8.00 -0.93 -4.99 116.55 124.13 3d9i n ASP 16 Ca 0.04 -1.97 -0.25 0.00 0.71 0.00 0.00 54.79 53.32 3d9i n ASP 16 Cb 0.12 -0.35 -0.12 0.00 -0.02 0.00 0.00 41.12 40.76 3d9i n ASP 16 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3d9i s MET 17 N -1.09 1.39 -0.36 -1.24 -1.94 -0.70 -5.12 119.30 110.24 3d9i s MET 17 Ca 0.38 -1.46 -0.13 0.00 -1.71 0.00 0.00 55.69 52.78 3d9i s MET 17 Cb 0.21 -1.60 0.00 0.00 2.01 0.00 0.00 34.83 35.45 3d9i s MET 17 CO 0.27 0.34 0.25 0.21 -0.01 0.00 0.00 175.02 176.08 3d9i s LYS 18 N -2.68 3.24 0.69 2.03 2.20 -1.26 -5.03 119.74 118.94 3d9i s LYS 18 Ca 0.18 -0.82 -0.17 0.00 -0.36 0.00 0.00 55.97 54.80 3d9i s LYS 18 Cb -0.07 -3.84 0.01 0.00 -1.51 0.00 0.00 37.83 32.43 3d9i s LYS 18 CO 0.08 -0.57 1.24 -2.30 -0.36 0.00 0.00 175.35 173.44 3d9i n PRO 19 N 5.10 0.83 -1.97 4.03 -0.02 -1.26 -4.52 135.00 137.19 3d9i n PRO 19 Ca -0.12 0.34 -0.40 0.00 -2.02 0.00 0.00 63.50 61.30 3d9i n PRO 19 Cb 0.48 -2.48 -0.01 0.00 -0.02 0.00 0.00 33.50 31.48 3d9i n PRO 19 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3d9i s PRO 20 N -3.54 4.09 0.18 0.52 0.04 -1.26 -5.13 135.00 129.90 3d9i s PRO 20 Ca 0.80 2.33 -0.30 0.00 0.04 0.00 0.00 61.00 63.87 3d9i s PRO 20 Cb -0.36 -2.90 -0.08 0.00 0.04 0.00 0.00 34.50 31.21 3d9i s PRO 20 CO 0.44 -0.45 1.02 0.42 0.04 0.00 0.00 177.00 178.46 3d9i s ILE 21 N -1.18 4.07 0.33 0.56 -1.09 -1.26 -4.99 121.20 117.64 3d9i s ILE 21 Ca 0.54 1.86 -0.27 0.00 -2.23 0.00 0.00 60.65 60.54 3d9i s ILE 21 Cb -0.42 -4.18 -0.13 0.00 -1.58 0.00 0.00 42.46 36.15 3d9i s ILE 21 CO 0.55 0.35 1.09 -1.54 -1.23 0.00 0.00 174.94 174.17 3d9i n SER 22 N 2.16 1.73 -0.25 3.58 3.41 -1.26 -4.84 113.62 118.14 3d9i n SER 22 Ca 0.01 1.16 -0.02 0.00 -0.26 0.00 0.00 58.87 59.76 3d9i n SER 22 Cb 0.47 -1.36 0.09 0.00 -0.26 0.00 0.00 64.21 63.15 3d9i n SER 22 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3d9i h LYS 23 N 2.07 0.78 -1.01 4.33 3.64 -1.99 -1.88 116.57 122.51 3d9i h LYS 23 Ca -0.42 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 58.94 3d9i h LYS 23 Cb 1.32 -0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 32.91 3d9i h LYS 23 CO 0.60 0.52 0.66 0.00 -2.27 0.00 0.00 179.45 178.96 3d9i h ALA 24 N 1.32 1.33 -0.30 5.00 0.00 -1.99 0.10 119.26 124.73 3d9i h ALA 24 Ca 0.29 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3d9i h ALA 24 Cb 0.09 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3d9i h ALA 24 CO -0.14 0.58 0.03 -0.22 0.00 0.00 0.00 179.25 179.50 3d9i h LYS 25 N 1.29 0.50 -0.70 0.00 1.63 -1.81 -1.34 116.57 116.15 3d9i h LYS 25 Ca 0.39 -0.15 -0.02 0.00 -0.85 0.00 0.00 60.65 60.03 3d9i h LYS 25 Cb -0.03 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.52 3d9i h LYS 25 CO -0.12 0.63 0.36 0.52 -3.45 0.00 0.00 179.45 177.39 3d9i h MET 26 N 0.31 0.99 -0.36 1.90 2.86 -0.78 -1.06 114.93 118.79 3d9i h MET 26 Ca 0.09 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 3d9i h MET 26 Cb 0.38 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 3d9i h MET 26 CO 0.01 0.75 0.14 1.15 1.06 0.00 0.00 176.91 180.02 3d9i h THR 27 N 0.99 1.19 -0.85 2.22 2.02 -0.64 -0.93 112.91 116.91 3d9i h THR 27 Ca 0.25 -0.58 0.02 0.00 0.77 0.00 0.00 66.41 66.87 3d9i h THR 27 Cb 0.07 0.91 -0.05 0.00 -1.74 0.00 0.00 68.15 67.34 3d9i h THR 27 CO -0.04 0.21 0.55 1.56 0.37 0.00 0.00 175.52 178.17 3d9i h GLN 28 N 0.43 1.06 -0.21 6.66 1.08 -0.78 0.24 115.11 123.59 3d9i h GLN 28 Ca 0.12 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 3d9i h GLN 28 Cb 0.19 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 3d9i h GLN 28 CO -0.01 0.70 0.07 0.82 -0.95 0.00 0.00 178.83 179.46 3d9i h ILE 29 N 1.10 1.19 -0.35 2.54 2.04 -0.99 -1.61 117.51 121.42 3d9i h ILE 29 Ca 0.33 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 3d9i h ILE 29 Cb -0.05 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 3d9i h ILE 29 CO -0.10 0.19 0.14 0.74 0.00 0.00 0.00 178.15 179.12 3d9i h THR 30 N 0.17 1.19 -0.81 -0.27 2.02 -0.78 -1.29 112.91 113.14 3d9i h THR 30 Ca 0.07 -0.59 -0.00 0.00 0.77 0.00 0.00 66.41 66.66 3d9i h THR 30 Cb 0.23 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 3d9i h THR 30 CO -0.00 0.21 0.50 0.11 0.37 0.00 0.00 175.52 176.71 3d9i h LYS 31 N 0.42 1.09 -0.58 6.66 1.57 -0.44 -1.00 116.57 124.29 3d9i h LYS 31 Ca 0.12 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3d9i h LYS 31 Cb 0.20 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 3d9i h LYS 31 CO -0.01 0.75 0.34 0.00 -0.57 0.00 0.00 179.45 179.97 3d9i h ALA 32 N 1.27 0.75 -0.19 3.86 0.00 -1.01 -0.63 119.26 123.31 3d9i h ALA 32 Ca 0.29 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.15 3d9i h ALA 32 Cb -0.07 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3d9i h ALA 32 CO -0.06 0.24 0.02 0.00 0.00 0.00 0.00 179.25 179.45 3d9i h ALA 33 N 1.17 0.18 -0.32 0.00 0.00 -0.81 -2.33 119.26 117.15 3d9i h ALA 33 Ca 0.21 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 3d9i h ALA 33 Cb -0.00 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3d9i h ALA 33 CO -0.04 -0.41 -0.18 0.82 0.00 0.00 0.00 179.25 179.44 3d9i h ILE 34 N 0.09 1.29 -0.07 0.00 1.08 -0.94 -2.02 117.51 116.95 3d9i h ILE 34 Ca 0.09 -1.31 0.02 0.00 -0.39 0.00 0.00 64.86 63.27 3d9i h ILE 34 Cb 0.09 1.44 -0.00 0.00 -3.07 0.00 0.00 36.82 35.28 3d9i h ILE 34 CO -0.13 0.42 0.05 0.11 -0.69 0.00 0.00 178.15 177.91 3d9i h LYS 35 N 0.46 0.00 -0.88 2.37 1.57 -1.14 -2.41 116.57 116.54 3d9i h LYS 35 Ca 0.07 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.64 3d9i h LYS 35 Cb 0.73 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.91 3d9i h LYS 35 CO 0.05 0.00 0.27 0.00 -0.57 0.00 0.00 179.45 179.20 3d9i n ALA 36 N -2.53 4.18 -0.09 3.86 0.00 -0.77 -4.66 120.51 120.50 3d9i n ALA 36 Ca -0.01 -1.74 0.16 0.00 0.00 0.00 0.00 53.44 51.84 3d9i n ALA 36 Cb 0.15 -1.22 0.56 0.00 0.00 0.00 0.00 19.45 18.94 3d9i n ALA 36 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3d9i h ILE 37 N 1.58 0.81 -0.88 0.00 2.10 -1.34 0.21 117.51 119.99 3d9i h ILE 37 Ca 0.26 -0.10 0.15 0.00 1.08 0.00 0.00 64.86 66.25 3d9i h ILE 37 Cb 1.99 0.49 -0.07 0.00 -1.09 0.00 0.00 36.82 38.15 3d9i h ILE 37 CO 0.60 0.05 0.57 0.50 -1.08 0.00 0.00 178.15 178.79 3d9i h LYS 38 N 0.29 0.62 -0.88 2.19 3.64 -1.87 -1.84 116.57 118.72 3d9i h LYS 38 Ca 0.31 -0.04 -0.51 0.00 -1.27 0.00 0.00 60.65 59.14 3d9i h LYS 38 Cb 0.80 -0.14 -0.28 0.00 -0.41 0.00 0.00 32.23 32.21 3d9i h LYS 38 CO -0.07 0.41 0.52 1.19 -2.27 0.00 0.00 179.45 179.22 3d9i n PHE 39 N -4.55 2.77 -0.22 1.91 3.01 0.72 -4.73 117.46 116.38 3d9i n PHE 39 Ca 0.17 -2.14 0.17 0.00 1.01 0.00 0.00 57.45 56.66 3d9i n PHE 39 Cb 0.49 -0.98 0.49 0.00 -0.01 0.00 0.00 39.48 39.48 3d9i n PHE 39 CO 0.00 0.00 0.00 0.10 1.01 0.00 0.00 176.76 177.87 3d9i h TYR 40 N 1.32 0.55 -0.57 1.38 -0.00 -1.28 -0.05 116.97 118.33 3d9i h TYR 40 Ca 0.55 0.02 -0.03 0.00 0.00 0.00 0.00 58.73 59.26 3d9i h TYR 40 Cb 2.06 -0.17 -0.03 0.00 0.00 0.00 0.00 36.73 38.60 3d9i h TYR 40 CO 1.43 0.18 0.23 0.87 -0.00 0.00 0.00 178.16 180.87 3d9i h LYS 41 N 0.44 0.85 -0.68 0.10 1.57 -1.86 0.40 116.57 117.39 3d9i h LYS 41 Ca 0.43 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 59.02 3d9i h LYS 41 Cb 0.99 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 33.13 3d9i h LYS 41 CO -0.16 0.73 0.28 0.45 -0.57 0.00 0.00 179.45 180.18 3d9i h HIS 42 N 0.78 1.03 -0.32 -1.35 3.86 -1.43 -1.36 115.15 116.36 3d9i h HIS 42 Ca 0.19 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 3d9i h HIS 42 Cb 0.19 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 3d9i h HIS 42 CO 0.01 0.80 0.17 0.28 0.86 0.00 0.00 177.93 180.04 3d9i h VAL 43 N 0.96 1.14 -0.48 2.45 2.07 -0.85 -0.65 116.25 120.89 3d9i h VAL 43 Ca 0.23 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 3d9i h VAL 43 Cb 0.20 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3d9i h VAL 43 CO -0.02 0.14 0.30 0.58 0.02 0.00 0.00 177.57 178.59 3d9i h VAL 44 N 0.39 1.14 -0.62 2.57 2.07 -0.82 -2.26 116.25 118.72 3d9i h VAL 44 Ca 0.11 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3d9i h VAL 44 Cb 0.07 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 3d9i h VAL 44 CO -0.02 0.14 0.36 -0.61 0.02 0.00 0.00 177.57 177.47 3d9i h GLN 45 N 0.64 0.85 -0.43 1.57 4.15 -0.97 -1.37 115.11 119.55 3d9i h GLN 45 Ca 0.17 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.51 3d9i h GLN 45 Cb -0.03 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.46 3d9i h GLN 45 CO -0.03 0.62 0.27 0.77 -1.93 0.00 0.00 178.83 178.53 3d9i h SER 46 N 0.84 0.50 -0.41 -0.69 0.02 -0.92 -0.90 113.55 112.01 3d9i h SER 46 Ca 0.22 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 3d9i h SER 46 Cb -0.00 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 3d9i h SER 46 CO -0.04 0.39 0.20 0.58 -1.14 0.00 0.00 176.83 176.82 3d9i h VAL 47 N 0.58 1.17 -0.76 2.27 2.07 -1.14 -1.28 116.25 119.16 3d9i h VAL 47 Ca 0.16 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.22 3d9i h VAL 47 Cb -0.04 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 3d9i h VAL 47 CO -0.03 0.18 0.50 -0.33 0.02 0.00 0.00 177.57 177.91 3d9i h GLU 48 N 0.52 1.00 -0.51 1.57 5.08 -1.10 -1.56 114.58 119.58 3d9i h GLU 48 Ca 0.14 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3d9i h GLU 48 Cb 0.10 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3d9i h GLU 48 CO -0.02 0.66 0.32 0.87 -1.00 0.00 0.00 179.01 179.85 3d9i h LYS 49 N 1.03 0.68 -0.34 2.33 1.57 -1.01 -0.77 116.57 120.07 3d9i h LYS 49 Ca 0.28 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 59.04 3d9i h LYS 49 Cb -0.12 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.01 3d9i h LYS 49 CO -0.06 0.48 0.14 0.35 -0.57 0.00 0.00 179.45 179.78 3d9i h PHE 50 N 0.69 0.25 -0.55 -1.35 3.57 -0.97 -1.40 116.94 117.17 3d9i h PHE 50 Ca 0.19 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 3d9i h PHE 50 Cb -0.04 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 3d9i h PHE 50 CO -0.03 0.12 0.06 0.82 -2.23 0.00 0.00 178.31 177.05 3d9i h ILE 51 N 0.29 1.24 -0.44 1.41 2.04 -0.99 -0.78 117.51 120.29 3d9i h ILE 51 Ca 0.15 -0.97 -0.06 0.00 1.00 0.00 0.00 64.86 64.98 3d9i h ILE 51 Cb 0.10 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 3d9i h ILE 51 CO -0.14 0.35 0.04 -0.61 0.00 0.00 0.00 178.15 177.79 3d9i h GLN 52 N 0.84 0.74 0.00 2.37 4.15 -0.72 -3.35 115.11 119.14 3d9i h GLN 52 Ca 0.17 -0.22 -0.15 0.00 0.77 0.00 0.00 58.65 59.22 3d9i h GLN 52 Cb 0.41 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.99 3d9i h GLN 52 CO 0.01 0.79 -1.47 1.63 -1.93 0.00 0.00 178.83 177.87 3d9i n LYS 53 N -4.44 0.63 -1.34 1.69 4.76 -0.57 -5.00 118.16 113.89 3d9i n LYS 53 Ca -0.00 0.17 -0.31 0.00 -2.87 0.00 0.00 58.31 55.30 3d9i n LYS 53 Cb 0.27 -1.78 0.08 0.00 -1.84 0.00 0.00 35.03 31.77 3d9i n LYS 53 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3d9i s LYS 55 N -4.80 2.02 0.47 0.00 1.02 -1.26 -4.89 119.74 112.29 3d9i s LYS 55 Ca 0.62 1.44 0.18 0.00 0.02 0.00 0.00 55.97 58.22 3d9i s LYS 55 Cb -0.17 -1.85 1.16 0.00 -0.52 0.00 0.00 37.83 36.45 3d9i s LYS 55 CO 0.54 -1.86 1.99 -1.35 -0.92 0.00 0.00 175.35 173.74 3d9i h PRO 56 N -0.92 0.25 0.00 -1.68 0.11 -1.96 -0.69 132.00 127.11 3d9i h PRO 56 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3d9i h PRO 56 Cb 1.26 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3d9i h PRO 56 CO 0.49 0.16 0.01 0.93 -0.21 0.00 0.00 178.00 179.38 3d9i h GLU 57 N 0.26 0.00 -0.02 1.05 3.07 -1.92 -2.62 114.58 114.39 3d9i h GLU 57 Ca 0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.12 3d9i h GLU 57 Cb 0.69 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 3d9i h GLU 57 CO -0.05 0.00 -0.05 0.66 -1.40 0.00 0.00 179.01 178.17 3d9i n TYR 58 N -2.96 0.00 0.15 4.33 4.02 -0.27 -4.53 117.16 117.90 3d9i n TYR 58 Ca -0.03 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.72 3d9i n TYR 58 Cb 0.07 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.31 3d9i n TYR 58 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 3d9i h LYS 59 N 3.48 -0.32 -0.10 -0.72 1.79 -1.52 0.15 116.57 119.32 3d9i h LYS 59 Ca 0.00 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 3d9i h LYS 59 Cb 0.76 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.48 3d9i h LYS 59 CO 0.00 -0.12 0.06 0.28 -1.08 0.00 0.00 179.45 178.60 3d9i h VAL 60 N -0.47 1.04 -0.88 0.50 2.07 -1.80 -0.91 116.25 115.80 3d9i h VAL 60 Ca -0.03 -0.10 0.20 0.00 0.82 0.00 0.00 66.70 67.58 3d9i h VAL 60 Cb 0.36 0.93 -0.12 0.00 -1.52 0.00 0.00 31.29 30.94 3d9i h VAL 60 CO 0.06 0.04 0.41 -0.65 0.02 0.00 0.00 177.57 177.45 3d9i h PRO 61 N 0.12 0.45 -0.69 1.57 0.11 -1.78 0.16 132.00 131.95 3d9i h PRO 61 Ca 0.04 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.15 3d9i h PRO 61 Cb 0.01 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 30.97 3d9i h PRO 61 CO -0.01 0.30 0.43 0.78 -0.21 0.00 0.00 178.00 179.29 3d9i h GLY 62 N 0.47 0.99 1.27 -0.55 0.00 0.15 -0.78 103.07 104.62 3d9i h GLY 62 Ca 0.53 -0.32 -0.09 0.00 0.00 0.00 0.00 47.33 47.46 3d9i h GLY 62 CO -0.48 0.27 -0.04 -2.00 0.00 0.00 0.00 176.54 174.28 3d9i h LEU 63 N 0.83 0.85 -1.62 3.11 5.85 -0.37 -2.21 115.31 121.75 3d9i h LEU 63 Ca 0.28 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 3d9i h LEU 63 Cb 0.03 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 3d9i h LEU 63 CO -0.11 0.94 0.05 1.88 -0.34 0.00 0.00 178.44 180.85 3d9i h TYR 64 N 0.80 0.28 -0.00 1.25 0.05 0.11 0.39 116.97 119.85 3d9i h TYR 64 Ca 0.14 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.92 3d9i h TYR 64 Cb 0.54 -0.09 -0.00 0.00 1.01 0.00 0.00 36.73 38.19 3d9i h TYR 64 CO 0.03 0.26 0.00 0.28 -1.05 0.00 0.00 178.16 177.68 3d9i h VAL 65 N 0.29 1.13 -0.15 -2.88 2.07 -0.58 0.13 116.25 116.25 3d9i h VAL 65 Ca 0.07 -0.38 0.05 0.00 0.82 0.00 0.00 66.70 67.26 3d9i h VAL 65 Cb 0.12 1.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 3d9i h VAL 65 CO -0.00 0.10 -0.19 0.40 0.02 0.00 0.00 177.57 177.89 3d9i h ILE 66 N -0.16 0.50 -0.41 4.57 2.04 -0.89 -0.85 117.51 122.31 3d9i h ILE 66 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 3d9i h ILE 66 Cb 0.16 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 3d9i h ILE 66 CO -0.00 0.00 0.13 -0.78 0.00 0.00 0.00 178.15 177.50 3d9i h ASP 67 N -0.24 0.13 -0.51 1.72 3.58 -0.88 -0.14 116.42 120.08 3d9i h ASP 67 Ca 0.11 0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.57 3d9i h ASP 67 Cb 0.39 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 3d9i h ASP 67 CO -0.29 0.11 0.16 0.28 -2.88 0.00 0.00 179.24 176.61 3d9i h SER 68 N 0.29 0.75 0.00 2.28 0.02 -0.47 -0.69 113.55 115.72 3d9i h SER 68 Ca 0.19 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3d9i h SER 68 Cb 0.19 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3d9i h SER 68 CO -0.21 0.76 -0.00 0.40 -1.14 0.00 0.00 176.83 176.64 3d9i h ILE 69 N 0.70 1.19 -0.44 3.27 2.04 -0.89 -1.59 117.51 121.79 3d9i h ILE 69 Ca 0.16 -0.57 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 3d9i h ILE 69 Cb 0.28 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 3d9i h ILE 69 CO -0.00 0.15 0.11 -0.37 0.00 0.00 0.00 178.15 178.04 3d9i h VAL 70 N -0.24 1.23 -0.32 1.67 -1.51 -0.91 -0.11 116.25 116.06 3d9i h VAL 70 Ca -0.00 -0.80 0.01 0.00 -1.23 0.00 0.00 66.70 64.69 3d9i h VAL 70 Cb 0.24 0.91 -0.02 0.00 -2.13 0.00 0.00 31.29 30.29 3d9i h VAL 70 CO 0.00 0.28 0.18 0.03 -1.23 0.00 0.00 177.57 176.84 3d9i h ARG 71 N 0.58 0.37 -0.44 5.19 3.08 -1.17 -0.82 114.38 121.17 3d9i h ARG 71 Ca 0.14 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.10 3d9i h ARG 71 Cb 0.31 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 3d9i h ARG 71 CO 0.00 0.24 -0.00 0.37 -1.07 0.00 0.00 179.97 179.51 3d9i h GLN 72 N 0.38 0.79 -0.72 0.04 5.75 -1.01 -1.69 115.11 118.65 3d9i h GLN 72 Ca 0.13 -0.25 -0.04 0.00 -0.15 0.00 0.00 58.65 58.34 3d9i h GLN 72 Cb 0.01 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.45 3d9i h GLN 72 CO -0.06 0.85 0.31 1.03 -2.65 0.00 0.00 178.83 178.31 3d9i h SER 73 N 0.63 0.97 -0.60 -0.69 0.87 -0.88 0.89 113.55 114.75 3d9i h SER 73 Ca 0.13 -0.16 -0.07 0.00 -1.23 0.00 0.00 61.79 60.46 3d9i h SER 73 Cb 0.50 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 3d9i h SER 73 CO 0.02 0.86 0.12 0.03 -0.53 0.00 0.00 176.83 177.34 3d9i h ARG 74 N 1.02 0.98 -0.25 2.24 3.08 -1.03 0.12 114.38 120.55 3d9i h ARG 74 Ca 0.24 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3d9i h ARG 74 Cb 0.18 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3d9i h ARG 74 CO -0.02 0.92 0.11 1.25 -1.07 0.00 0.00 179.97 181.15 3d9i h HIS 75 N 0.89 0.36 0.16 3.04 2.76 -1.04 -0.42 115.15 120.90 3d9i h HIS 75 Ca 0.19 -0.02 -0.31 0.00 -2.20 0.00 0.00 60.37 58.03 3d9i h HIS 75 Cb 0.39 -0.11 0.03 0.00 1.55 0.00 0.00 27.41 29.27 3d9i h HIS 75 CO 0.03 0.36 -1.30 0.37 -1.30 0.00 0.00 177.93 176.09 3d9i h GLN 76 N 0.26 0.57 0.00 5.26 4.15 -0.63 -3.37 115.11 121.35 3d9i h GLN 76 Ca 0.08 -0.82 0.00 0.00 0.77 0.00 0.00 58.65 58.69 3d9i h GLN 76 Cb 0.14 0.28 0.00 0.00 0.21 0.00 0.00 27.48 28.12 3d9i h GLN 76 CO -0.01 1.38 -1.16 1.19 -1.93 0.00 0.00 178.83 178.29 3d9i n PHE 77 N -3.75 0.00 0.00 3.99 3.01 0.40 -5.08 117.46 116.04 3d9i n PHE 77 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.32 3d9i n PHE 77 Cb 1.02 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 40.32 3d9i n PHE 77 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3d9i n GLY 78 N 1.53 2.67 0.30 1.37 0.00 -0.17 -4.48 105.19 106.40 3d9i n GLY 78 Ca -0.00 -1.69 -0.08 0.00 0.00 0.00 0.00 46.02 44.26 3d9i n GLY 78 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3d9i h GLN 79 N 0.00 1.04 0.00 1.61 4.20 -1.86 -0.72 115.11 119.38 3d9i h GLN 79 Ca 0.00 -0.23 -0.02 0.00 0.06 0.00 0.00 58.65 58.45 3d9i h GLN 79 Cb 0.00 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 3d9i h GLN 79 CO 0.00 0.92 -0.11 0.93 -0.67 0.00 0.00 178.83 179.90 3d9i h GLU 80 N 0.97 0.00 0.00 1.46 4.39 -1.91 -3.26 114.58 116.22 3d9i h GLU 80 Ca 0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 3d9i h GLU 80 Cb 0.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 3d9i h GLU 80 CO -0.00 0.11 -1.70 1.63 -1.16 0.00 0.00 179.01 177.88 3d9i n LYS 81 N -3.19 0.57 -1.62 2.33 4.76 -0.98 -4.94 118.16 115.09 3d9i n LYS 81 Ca 0.01 -0.12 -0.53 0.00 -2.87 0.00 0.00 58.31 54.80 3d9i n LYS 81 Cb 0.43 -1.57 -0.06 0.00 -1.84 0.00 0.00 35.03 31.99 3d9i n LYS 81 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3d9i n ASP 82 N -2.24 1.92 0.03 4.39 2.03 -0.31 -4.88 116.55 117.49 3d9i n ASP 82 Ca -0.02 1.10 0.11 0.00 0.52 0.00 0.00 54.79 56.50 3d9i n ASP 82 Cb 0.54 -1.19 0.00 0.00 -0.72 0.00 0.00 41.12 39.75 3d9i n ASP 82 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3d9i n VAL 83 N 3.09 0.20 -0.02 5.18 0.24 -1.26 -4.58 118.33 121.18 3d9i n VAL 83 Ca 0.20 -0.29 -0.13 0.00 -2.04 0.00 0.00 64.34 62.08 3d9i n VAL 83 Cb 0.18 0.14 -0.10 0.00 -1.47 0.00 0.00 33.84 32.59 3d9i n VAL 83 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 3d9i h PHE 84 N 0.00 -0.04 -0.30 6.34 -1.00 -1.96 -2.71 116.94 117.28 3d9i h PHE 84 Ca 0.00 -0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.79 3d9i h PHE 84 Cb 0.78 0.01 -0.02 0.00 3.61 0.00 0.00 35.95 40.33 3d9i h PHE 84 CO 0.00 0.61 0.18 0.00 -1.61 0.00 0.00 178.31 177.49 3d9i h ALA 85 N 0.12 0.37 -0.96 2.45 0.00 -1.91 0.17 119.26 119.50 3d9i h ALA 85 Ca -0.00 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.97 3d9i h ALA 85 Cb 0.67 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 3d9i h ALA 85 CO 0.01 -0.18 0.61 -1.35 0.00 0.00 0.00 179.25 178.34 3d9i h PRO 86 N 0.38 1.06 -0.19 0.00 0.11 -1.81 -0.32 132.00 131.22 3d9i h PRO 86 Ca 0.11 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.07 3d9i h PRO 86 Cb -0.02 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 30.85 3d9i h PRO 86 CO -0.04 0.70 -0.23 -0.09 -0.21 0.00 0.00 178.00 178.13 3d9i h ARG 87 N 1.09 0.50 -0.65 1.05 9.65 -1.10 -2.73 114.38 122.19 3d9i h ARG 87 Ca 0.43 -0.28 0.10 0.00 -1.10 0.00 0.00 59.98 59.13 3d9i h ARG 87 Cb 0.22 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.77 3d9i h ARG 87 CO -0.19 0.86 0.43 0.74 2.80 0.00 0.00 179.97 184.62 3d9i h PHE 88 N 0.16 0.51 -0.09 2.20 0.05 -0.75 -2.61 116.94 116.41 3d9i h PHE 88 Ca 0.03 0.01 0.03 0.00 3.82 0.00 0.00 57.97 61.86 3d9i h PHE 88 Cb 0.79 -0.17 -0.00 0.00 2.00 0.00 0.00 35.95 38.57 3d9i h PHE 88 CO 0.08 0.24 0.07 0.66 -0.18 0.00 0.00 178.31 179.19 3d9i h SER 89 N 0.48 0.00 -0.08 2.17 4.64 -0.72 -2.76 113.55 117.28 3d9i h SER 89 Ca 0.30 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.66 3d9i h SER 89 Cb 0.54 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.58 3d9i h SER 89 CO -0.09 0.00 -0.21 0.78 -0.87 0.00 0.00 176.83 176.44 3d9i h ASN 90 N 0.00 -0.63 -0.56 4.97 2.35 -1.52 -3.02 115.58 117.17 3d9i h ASN 90 Ca 0.04 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3d9i h ASN 90 Cb 0.19 0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.84 3d9i h ASN 90 CO -0.00 -0.26 0.00 0.59 -1.65 0.00 0.00 177.43 176.11 3d9i n ASN 91 N -5.34 3.51 -0.27 5.81 3.02 -1.20 -4.76 115.26 116.03 3d9i n ASN 91 Ca -0.04 -2.02 0.06 0.00 -0.03 0.00 0.00 54.58 52.56 3d9i n ASN 91 Cb 0.26 -0.38 0.29 0.00 -0.61 0.00 0.00 39.78 39.34 3d9i n ASN 91 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3d9i h ILE 92 N 3.25 1.01 -0.12 2.41 2.10 -1.35 -0.34 117.51 124.46 3d9i h ILE 92 Ca 0.00 -0.31 0.02 0.00 1.08 0.00 0.00 64.86 65.64 3d9i h ILE 92 Cb 0.89 0.03 -0.02 0.00 -1.09 0.00 0.00 36.82 36.63 3d9i h ILE 92 CO 0.01 0.16 0.02 0.40 -1.08 0.00 0.00 178.15 177.66 3d9i h ILE 93 N 0.90 0.95 -0.70 2.19 1.08 -1.86 -0.29 117.51 119.79 3d9i h ILE 93 Ca 0.38 -0.03 -0.04 0.00 -0.39 0.00 0.00 64.86 64.78 3d9i h ILE 93 Cb 0.31 0.86 -0.03 0.00 -3.07 0.00 0.00 36.82 34.89 3d9i h ILE 93 CO -0.15 0.01 0.26 -1.28 -0.69 0.00 0.00 178.15 176.31 3d9i h SER 94 N 0.08 0.97 -0.42 1.72 0.87 -1.64 -1.49 113.55 113.64 3d9i h SER 94 Ca 0.05 -0.18 0.06 0.00 -1.23 0.00 0.00 61.79 60.50 3d9i h SER 94 Cb 0.05 -0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 61.70 3d9i h SER 94 CO -0.07 0.89 0.10 0.74 -0.53 0.00 0.00 176.83 177.96 3d9i h THR 95 N 1.00 0.81 -0.02 2.23 2.02 -0.74 -1.91 112.91 116.30 3d9i h THR 95 Ca 0.23 -0.08 -0.13 0.00 0.77 0.00 0.00 66.41 67.20 3d9i h THR 95 Cb 0.23 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 3d9i h THR 95 CO -0.02 0.04 -0.59 -0.26 0.37 0.00 0.00 175.52 175.07 3d9i h PHE 96 N 0.25 0.08 -0.70 3.16 -1.00 -0.91 -0.48 116.94 117.34 3d9i h PHE 96 Ca 0.20 -0.03 0.07 0.00 2.81 0.00 0.00 57.97 61.02 3d9i h PHE 96 Cb 0.23 -0.01 -0.06 0.00 3.61 0.00 0.00 35.95 39.72 3d9i h PHE 96 CO -0.19 0.64 0.39 0.37 -1.61 0.00 0.00 178.31 177.91 3d9i h GLN 97 N 0.05 0.68 -0.26 1.51 4.15 -0.81 -0.10 115.11 120.32 3d9i h GLN 97 Ca -0.01 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 3d9i h GLN 97 Cb 1.06 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.58 3d9i h GLN 97 CO 0.08 0.45 0.09 -0.91 -1.93 0.00 0.00 178.83 176.61 3d9i h ASN 98 N 0.70 0.37 -0.90 -0.69 2.35 -0.87 -3.19 115.58 113.35 3d9i h ASN 98 Ca 0.32 -0.19 0.09 0.00 -0.55 0.00 0.00 56.30 55.96 3d9i h ASN 98 Cb 0.22 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.43 3d9i h ASN 98 CO -0.20 0.46 0.58 -0.07 -1.65 0.00 0.00 177.43 176.55 3d9i h LEU 99 N 0.26 0.84 0.00 1.61 3.38 -0.59 -2.23 115.31 118.58 3d9i h LEU 99 Ca 0.08 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3d9i h LEU 99 Cb 0.22 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3d9i h LEU 99 CO -0.00 0.51 0.00 -1.22 0.09 0.00 0.00 178.44 177.81 3d9i n TYR 100 N -4.52 0.00 0.39 1.13 0.53 -0.10 -2.18 117.16 112.41 3d9i n TYR 100 Ca 0.15 0.00 -0.01 0.00 -1.02 0.00 0.00 57.90 57.02 3d9i n TYR 100 Cb 0.27 0.00 0.10 0.00 -1.03 0.00 0.00 39.34 38.68 3d9i n TYR 100 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 3d9i n ARG 101 N -0.98 1.91 -1.90 -0.72 1.74 -0.84 -4.90 116.66 110.97 3d9i n ARG 101 Ca 0.19 -0.94 -0.29 0.00 -0.77 0.00 0.00 57.85 56.04 3d9i n ARG 101 Cb 0.09 -1.60 0.09 0.00 -1.02 0.00 0.00 32.46 30.01 3d9i n ARG 101 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3d9i n PRO 103 N -3.29 1.57 -0.31 0.00 -0.02 -1.26 -4.91 135.00 126.79 3d9i n PRO 103 Ca 0.08 0.58 0.10 0.00 -2.02 0.00 0.00 63.50 62.24 3d9i n PRO 103 Cb 0.61 -2.57 0.26 0.00 -0.02 0.00 0.00 33.50 31.78 3d9i n PRO 103 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3d9i h GLY 104 N 1.24 1.50 0.67 -1.23 0.00 -1.96 0.11 103.07 103.41 3d9i h GLY 104 Ca -0.51 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 46.57 3d9i h GLY 104 CO 0.56 -0.11 0.00 2.09 0.00 0.00 0.00 176.54 179.09 3d9i n ASP 105 N -4.90 0.00 0.01 0.19 5.68 -1.26 -2.63 116.55 113.63 3d9i n ASP 105 Ca 0.20 -1.05 0.11 0.00 -0.50 0.00 0.00 54.79 53.54 3d9i n ASP 105 Cb 0.52 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.41 3d9i n ASP 105 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3d9i n ASP 106 N -0.84 0.51 -0.27 -1.12 8.00 0.02 -4.38 116.55 118.48 3d9i n ASP 106 Ca 0.13 -0.34 0.06 0.00 0.71 0.00 0.00 54.79 55.35 3d9i n ASP 106 Cb 0.06 1.27 0.20 0.00 -0.02 0.00 0.00 41.12 42.63 3d9i n ASP 106 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 3d9i h LYS 107 N 0.00 0.51 -0.45 -1.24 3.64 -1.58 -0.98 116.57 116.47 3d9i h LYS 107 Ca 0.00 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3d9i h LYS 107 Cb 0.77 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 3d9i h LYS 107 CO 0.00 0.34 0.25 0.66 -2.27 0.00 0.00 179.45 178.42 3d9i h SER 108 N 0.52 0.54 -0.31 4.20 4.64 -1.80 -1.33 113.55 120.01 3d9i h SER 108 Ca 0.43 -0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.65 3d9i h SER 108 Cb 0.62 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 3d9i h SER 108 CO -0.38 0.44 -0.02 0.11 -0.87 0.00 0.00 176.83 176.11 3d9i h LYS 109 N 0.62 0.67 -0.12 4.77 1.57 -1.44 -0.72 116.57 121.91 3d9i h LYS 109 Ca 0.16 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3d9i h LYS 109 Cb 0.01 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 3d9i h LYS 109 CO -0.03 0.70 -0.05 0.82 -0.57 0.00 0.00 179.45 180.32 3d9i h ILE 110 N 0.63 1.31 -0.79 1.86 2.04 -1.01 -2.77 117.51 118.78 3d9i h ILE 110 Ca 0.13 -1.06 -0.00 0.00 1.00 0.00 0.00 64.86 64.92 3d9i h ILE 110 Cb 0.42 1.75 -0.04 0.00 -0.74 0.00 0.00 36.82 38.21 3d9i h ILE 110 CO 0.02 0.30 0.48 0.58 0.00 0.00 0.00 178.15 179.53 3d9i h VAL 111 N -0.08 1.22 -0.68 1.67 2.07 -1.09 -0.64 116.25 118.70 3d9i h VAL 111 Ca 0.03 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 3d9i h VAL 111 Cb 0.50 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 3d9i h VAL 111 CO 0.02 0.23 0.32 0.03 0.02 0.00 0.00 177.57 178.18 3d9i h ARG 112 N 1.08 0.99 -0.36 1.57 3.08 -1.08 0.27 114.38 119.93 3d9i h ARG 112 Ca 0.28 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 3d9i h ARG 112 Cb -0.05 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.80 3d9i h ARG 112 CO -0.05 0.79 0.21 0.28 -1.07 0.00 0.00 179.97 180.13 3d9i h VAL 113 N 0.96 1.12 -0.69 2.04 2.07 -1.09 -1.05 116.25 119.61 3d9i h VAL 113 Ca 0.23 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.47 3d9i h VAL 113 Cb 0.14 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3d9i h VAL 113 CO -0.03 0.12 0.45 -0.07 0.02 0.00 0.00 177.57 178.07 3d9i h LEU 114 N 0.47 0.80 -0.81 2.57 3.38 -0.61 -0.13 115.31 120.97 3d9i h LEU 114 Ca 0.13 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.12 3d9i h LEU 114 Cb 0.01 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 3d9i h LEU 114 CO -0.02 0.58 0.51 0.78 0.09 0.00 0.00 178.44 180.38 3d9i h ASN 115 N 0.94 0.82 -0.37 -0.43 2.35 -0.16 0.30 115.58 119.02 3d9i h ASN 115 Ca 0.25 0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.85 3d9i h ASN 115 Cb -0.10 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 3d9i h ASN 115 CO -0.05 0.54 -0.39 -0.07 -1.65 0.00 0.00 177.43 175.81 3d9i h LEU 116 N 0.96 0.98 -0.60 1.61 3.38 -0.85 -1.39 115.31 119.40 3d9i h LEU 116 Ca 0.34 -0.47 0.02 0.00 0.09 0.00 0.00 57.88 57.86 3d9i h LEU 116 Cb 0.09 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 3d9i h LEU 116 CO -0.14 1.25 0.37 -0.50 0.09 0.00 0.00 178.44 179.51 3d9i h TRP 117 N 0.73 0.70 -0.16 1.13 6.55 -0.56 -1.65 115.95 122.69 3d9i h TRP 117 Ca 0.06 0.02 -0.00 0.00 0.95 0.00 0.00 58.89 59.91 3d9i h TRP 117 Cb 0.98 -0.23 -0.01 0.00 -0.86 0.00 0.00 29.16 29.05 3d9i h TRP 117 CO 0.07 0.41 0.09 0.37 -1.05 0.00 0.00 178.44 178.32 3d9i h GLN 118 N 0.74 0.22 -0.88 0.49 4.15 -0.84 0.47 115.11 119.45 3d9i h GLN 118 Ca 0.24 -0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.69 3d9i h GLN 118 Cb -0.00 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.58 3d9i h GLN 118 CO -0.09 0.21 0.56 -0.22 -1.93 0.00 0.00 178.83 177.36 3d9i h LYS 119 N 0.17 0.99 -0.29 1.69 3.11 -1.10 -2.65 116.57 118.50 3d9i h LYS 119 Ca 0.06 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 3d9i h LYS 119 Cb 0.05 -0.22 0.00 0.00 -1.00 0.00 0.00 32.23 31.06 3d9i h LYS 119 CO -0.01 0.66 0.00 0.09 -2.81 0.00 0.00 179.45 177.38 3d9i n ASN 120 N -4.59 2.38 -3.80 4.20 3.02 -0.63 -4.95 115.26 110.89 3d9i n ASN 120 Ca 0.13 -1.85 -0.26 0.00 -0.03 0.00 0.00 54.58 52.57 3d9i n ASN 120 Cb 0.16 -0.19 0.03 0.00 -0.61 0.00 0.00 39.78 39.18 3d9i n ASN 120 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3d9i n ASN 121 N 0.79 -2.93 -0.02 6.41 3.02 -0.01 -4.90 115.26 117.63 3d9i n ASN 121 Ca 0.17 -0.80 -0.15 0.00 -0.03 0.00 0.00 54.58 53.77 3d9i n ASN 121 Cb 0.43 -3.98 -0.04 0.00 -0.61 0.00 0.00 39.78 35.58 3d9i n ASN 121 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3d9i h VAL 122 N -1.99 1.29 -3.23 2.41 2.07 -1.39 -3.44 116.25 111.97 3d9i h VAL 122 Ca -0.60 -1.94 -0.40 0.00 0.82 0.00 0.00 66.70 64.59 3d9i h VAL 122 Cb 1.37 1.91 -0.15 0.00 -1.52 0.00 0.00 31.29 32.89 3d9i h VAL 122 CO 0.62 0.61 -0.73 -0.36 0.02 0.00 0.00 177.57 177.72 3d9i s PHE 123 N -3.83 1.48 0.76 1.57 0.40 -1.26 -4.94 117.98 112.17 3d9i s PHE 123 Ca -0.09 -0.63 -0.11 0.00 -0.60 0.00 0.00 56.93 55.49 3d9i s PHE 123 Cb 0.09 -0.73 0.05 0.00 0.51 0.00 0.00 43.02 42.94 3d9i s PHE 123 CO 0.89 0.21 1.09 0.15 0.70 0.00 0.00 175.22 178.25 3d9i s LYS 124 N -3.44 2.38 0.41 0.44 1.02 -1.26 -4.76 119.74 114.52 3d9i s LYS 124 Ca 0.17 0.73 0.12 0.00 0.02 0.00 0.00 55.97 57.01 3d9i s LYS 124 Cb -0.01 -1.94 0.94 0.00 -0.52 0.00 0.00 37.83 36.30 3d9i s LYS 124 CO 0.04 -1.44 1.95 1.03 -0.92 0.00 0.00 175.35 176.01 3d9i h SER 125 N -0.96 0.47 0.19 2.83 0.87 -1.97 -0.19 113.55 114.79 3d9i h SER 125 Ca -0.46 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.11 3d9i h SER 125 Cb 1.25 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 63.12 3d9i h SER 125 CO 0.59 0.28 -0.00 1.05 -0.53 0.00 0.00 176.83 178.21 3d9i h GLU 126 N 0.52 0.00 0.01 2.24 4.11 -2.00 0.22 114.58 119.68 3d9i h GLU 126 Ca 0.32 0.00 -0.40 0.00 0.07 0.00 0.00 59.36 59.34 3d9i h GLU 126 Cb 0.54 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 3d9i h GLU 126 CO -0.10 0.00 -2.28 -0.89 0.07 0.00 0.00 179.01 175.81 3d9i n ILE 127 N -3.12 1.54 -0.14 -1.06 2.08 -0.24 -4.54 119.36 113.89 3d9i n ILE 127 Ca -0.02 -0.39 -0.11 0.00 0.56 0.00 0.00 62.75 62.79 3d9i n ILE 127 Cb 0.12 -1.79 -0.02 0.00 -0.75 0.00 0.00 39.64 37.20 3d9i n ILE 127 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 3d9i h ILE 128 N -0.70 1.27 -0.04 1.39 1.08 -0.83 -3.18 117.51 116.50 3d9i h ILE 128 Ca -0.60 -1.06 0.00 0.00 -0.39 0.00 0.00 64.86 62.82 3d9i h ILE 128 Cb 1.66 1.16 -0.00 0.00 -3.07 0.00 0.00 36.82 36.57 3d9i h ILE 128 CO -0.28 0.36 0.02 -0.61 -0.69 0.00 0.00 178.15 176.95 3d9i h GLN 129 N 0.54 0.05 -0.38 2.37 5.75 -0.82 -0.94 115.11 121.67 3d9i h GLN 129 Ca 0.11 -0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.65 3d9i h GLN 129 Cb 0.51 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.03 3d9i h GLN 129 CO 0.03 0.05 0.26 -1.00 -2.65 0.00 0.00 178.83 175.51 3d9i h PRO 130 N 0.04 0.34 -0.64 -2.39 0.13 -1.77 0.23 132.00 127.94 3d9i h PRO 130 Ca 0.01 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 65.04 3d9i h PRO 130 Cb 0.01 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.04 3d9i h PRO 130 CO -0.00 0.23 0.06 -0.07 -0.23 0.00 0.00 178.00 177.99 3d9i h LEU 131 N 0.36 1.05 -0.47 1.56 3.38 -1.36 -0.40 115.31 119.42 3d9i h LEU 131 Ca 0.16 -0.28 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 3d9i h LEU 131 Cb 0.19 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3d9i h LEU 131 CO -0.04 1.07 -0.13 -0.07 0.09 0.00 0.00 178.44 179.36 3d9i h LEU 132 N 1.00 0.92 -1.06 1.67 3.38 -0.56 -2.73 115.31 117.93 3d9i h LEU 132 Ca 0.19 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.81 3d9i h LEU 132 Cb 0.49 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3d9i h LEU 132 CO 0.02 1.07 0.64 0.44 0.09 0.00 0.00 178.44 180.70 3d9i h ASP 133 N 0.75 1.08 -0.76 -0.43 3.32 -0.37 -1.91 116.42 118.10 3d9i h ASP 133 Ca 0.12 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 3d9i h ASP 133 Cb 0.68 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 3d9i h ASP 133 CO 0.05 0.77 0.29 0.24 -1.72 0.00 0.00 179.24 178.86 3d9i h MET 134 N 1.27 1.16 -0.31 3.56 2.86 -0.88 -0.61 114.93 121.98 3d9i h MET 134 Ca 0.36 -0.22 -0.00 0.00 -2.06 0.00 0.00 59.70 57.78 3d9i h MET 134 Cb -0.09 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.37 3d9i h MET 134 CO -0.09 0.95 0.19 0.00 1.06 0.00 0.00 176.91 179.02 3d9i h ALA 135 N 1.18 0.40 -0.70 6.32 0.00 -1.13 -3.01 119.26 122.32 3d9i h ALA 135 Ca 0.25 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3d9i h ALA 135 Cb 0.24 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3d9i h ALA 135 CO -0.02 -0.11 0.39 0.00 0.00 0.00 0.00 179.25 179.51 3d9i h ALA 136 N 1.08 1.37 0.00 0.00 0.00 -0.93 -2.76 119.26 118.02 3d9i h ALA 136 Ca 0.11 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3d9i h ALA 136 Cb 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3d9i h ALA 136 CO -0.02 0.52 -0.35 0.00 0.00 0.00 0.00 179.25 179.40 3d9i h ALA 137 N 1.46 1.20 -0.67 0.00 0.00 -0.99 -3.06 119.26 117.19 3d9i h ALA 137 Ca 0.25 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3d9i h ALA 137 Cb 0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3d9i h ALA 137 CO -0.04 0.44 0.11 -0.07 0.00 0.00 0.00 179.25 179.69 3d9i h LEU 138 N 0.00 1.05 0.00 0.00 3.38 -1.39 -3.51 115.31 114.84 3d9i h LEU 138 Ca -0.00 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3d9i h LEU 138 Cb 0.72 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3d9i h LEU 138 CO 0.05 1.04 0.00 -1.84 0.09 0.00 0.00 178.44 177.77