#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d9l h GLU 2 N 0.00 0.07 -0.93 0.03 4.81 -2.04 -1.49 114.58 115.03 3d9l h GLU 2 Ca 0.00 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 3d9l h GLU 2 Cb 0.00 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.31 3d9l h GLU 2 CO 0.00 0.04 0.61 0.00 -0.73 0.00 0.00 179.01 178.93 3d9l h ALA 3 N 1.35 1.40 -0.32 2.92 0.00 -1.97 0.17 119.26 122.82 3d9l h ALA 3 Ca 0.19 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 3d9l h ALA 3 Cb 0.27 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3d9l h ALA 3 CO -0.34 0.51 -0.19 0.28 0.00 0.00 0.00 179.25 179.51 3d9l h VAL 4 N 1.17 1.29 -0.08 0.00 2.07 -1.77 -1.98 116.25 116.96 3d9l h VAL 4 Ca 0.37 -1.31 -0.12 0.00 0.82 0.00 0.00 66.70 66.45 3d9l h VAL 4 Cb 0.00 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3d9l h VAL 4 CO -0.11 0.42 -0.49 0.11 0.02 0.00 0.00 177.57 177.53 3d9l h LYS 5 N 0.45 0.21 -0.15 1.57 1.57 -0.64 0.16 116.57 119.75 3d9l h LYS 5 Ca 0.07 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3d9l h LYS 5 Cb 0.73 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 3d9l h LYS 5 CO 0.05 0.65 0.08 1.15 -0.57 0.00 0.00 179.45 180.81 3d9l h THR 6 N 0.17 1.10 0.01 -0.16 2.02 -0.69 -1.35 112.91 114.00 3d9l h THR 6 Ca 0.01 -0.27 0.02 0.00 0.77 0.00 0.00 66.41 66.93 3d9l h THR 6 Cb 0.92 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 3d9l h THR 6 CO 0.07 0.09 -0.09 0.15 0.37 0.00 0.00 175.52 176.11 3d9l h PHE 7 N 0.13 -0.24 -0.86 3.16 3.57 -0.91 -1.98 116.94 119.81 3d9l h PHE 7 Ca 0.05 0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.71 3d9l h PHE 7 Cb 0.08 0.10 -0.10 0.00 2.79 0.00 0.00 35.95 38.82 3d9l h PHE 7 CO -0.04 -0.14 0.44 -0.91 -2.23 0.00 0.00 178.31 175.43 3d9l h ASN 8 N -0.16 0.52 -0.18 0.41 2.35 -0.64 0.36 115.58 118.24 3d9l h ASN 8 Ca 0.03 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3d9l h ASN 8 Cb 0.21 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 3d9l h ASN 8 CO -0.09 0.21 0.12 0.28 -1.65 0.00 0.00 177.43 176.29 3d9l h SER 9 N 0.61 0.21 -0.34 5.81 0.02 -1.01 -0.55 113.55 118.30 3d9l h SER 9 Ca 0.47 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 3d9l h SER 9 Cb 0.69 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 3d9l h SER 9 CO -0.37 0.17 0.22 -0.33 -1.14 0.00 0.00 176.83 175.38 3d9l h GLU 10 N 0.23 0.46 -0.05 3.45 4.39 -0.55 -2.04 114.58 120.47 3d9l h GLU 10 Ca 0.07 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 3d9l h GLU 10 Cb -0.01 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.54 3d9l h GLU 10 CO -0.01 0.33 -0.01 1.25 -1.16 0.00 0.00 179.01 179.40 3d9l h LEU 11 N 0.46 0.09 -1.45 1.33 5.85 -0.95 -3.21 115.31 117.43 3d9l h LEU 11 Ca 0.13 -0.39 -0.06 0.00 0.84 0.00 0.00 57.88 58.40 3d9l h LEU 11 Cb -0.02 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3d9l h LEU 11 CO -0.03 0.46 -0.28 0.22 -0.34 0.00 0.00 178.44 178.48 3d9l h TYR 12 N -0.28 0.00 0.00 1.25 5.03 -1.09 -2.45 116.97 119.43 3d9l h TYR 12 Ca 0.01 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.32 3d9l h TYR 12 Cb 0.42 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.70 3d9l h TYR 12 CO 0.06 0.28 0.00 -1.13 -1.32 0.00 0.00 178.16 176.05 3d9l n SER 13 N -4.12 0.00 -0.32 -2.11 3.41 -0.77 -1.55 113.62 108.17 3d9l n SER 13 Ca -0.02 -0.33 0.27 0.00 -0.26 0.00 0.00 58.87 58.53 3d9l n SER 13 Cb 0.33 -0.16 0.59 0.00 -0.26 0.00 0.00 64.21 64.71 3d9l n SER 13 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3d9l h LEU 14 N 0.00 0.30 -0.30 1.04 3.38 -1.52 -0.06 115.31 118.15 3d9l h LEU 14 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3d9l h LEU 14 Cb 0.11 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3d9l h LEU 14 CO 0.00 0.05 0.00 0.59 0.09 0.00 0.00 178.44 179.17 3d9l n ASN 15 N -4.49 0.21 0.04 -0.43 3.02 -0.60 -1.78 115.26 111.23 3d9l n ASN 15 Ca 0.25 0.56 0.13 0.00 -0.03 0.00 0.00 54.58 55.50 3d9l n ASN 15 Cb 0.99 -0.60 0.50 0.00 -0.61 0.00 0.00 39.78 40.06 3d9l n ASN 15 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3d9l n ASP 16 N -1.74 0.35 -4.28 6.41 8.00 -0.04 -4.88 116.55 120.38 3d9l n ASP 16 Ca 0.02 0.46 -0.28 0.00 0.71 0.00 0.00 54.79 55.70 3d9l n ASP 16 Cb 0.14 -0.52 -0.15 0.00 -0.02 0.00 0.00 41.12 40.56 3d9l n ASP 16 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3d9l s TYR 17 N -3.04 2.03 -0.06 1.24 2.02 -0.73 -5.12 117.35 113.69 3d9l s TYR 17 Ca 0.12 -0.39 -0.26 0.00 -0.37 0.00 0.00 57.07 56.18 3d9l s TYR 17 Cb 0.16 -1.25 -0.03 0.00 -0.40 0.00 0.00 41.96 40.45 3d9l s TYR 17 CO 0.57 0.06 0.81 0.21 -1.57 0.00 0.00 175.55 175.63 3d9l s LYS 18 N -0.96 4.46 0.71 -0.62 2.20 -1.26 -4.99 119.74 119.28 3d9l s LYS 18 Ca 0.09 1.08 -0.14 0.00 -0.36 0.00 0.00 55.97 56.65 3d9l s LYS 18 Cb -0.09 -3.47 0.03 0.00 -1.51 0.00 0.00 37.83 32.79 3d9l s LYS 18 CO 0.01 -0.02 1.12 -2.14 -0.36 0.00 0.00 175.35 173.96 3d9l s PRO 19 N 1.04 2.47 0.36 4.03 0.02 -1.26 -4.46 135.00 137.19 3d9l s PRO 19 Ca 0.42 1.40 -0.28 0.00 0.02 0.00 0.00 61.00 62.56 3d9l s PRO 19 Cb -0.19 -1.91 -0.11 0.00 0.02 0.00 0.00 34.50 32.32 3d9l s PRO 19 CO 0.21 -1.51 1.46 -1.25 -0.33 0.00 0.00 177.00 175.57 3d9l s PRO 20 N -4.30 4.16 0.10 5.54 0.04 -1.26 -5.14 135.00 134.14 3d9l s PRO 20 Ca 0.66 2.50 -0.29 0.00 0.04 0.00 0.00 61.00 63.92 3d9l s PRO 20 Cb -0.21 -3.00 -0.06 0.00 0.04 0.00 0.00 34.50 31.28 3d9l s PRO 20 CO 0.47 -0.47 0.91 0.42 0.04 0.00 0.00 177.00 178.36 3d9l s ILE 21 N -1.00 4.55 0.83 0.56 -1.09 -1.26 -5.03 121.20 118.75 3d9l s ILE 21 Ca 0.53 1.96 -0.12 0.00 -2.23 0.00 0.00 60.65 60.79 3d9l s ILE 21 Cb -0.45 -4.27 0.10 0.00 -1.58 0.00 0.00 42.46 36.26 3d9l s ILE 21 CO 0.60 0.34 1.16 -0.94 -1.23 0.00 0.00 174.94 174.86 3d9l s SER 22 N -0.05 3.56 0.29 3.58 1.04 -1.26 -4.89 113.70 115.96 3d9l s SER 22 Ca 0.45 2.21 -0.00 0.00 0.48 0.00 0.00 55.95 59.08 3d9l s SER 22 Cb -0.23 -2.57 0.43 0.00 0.10 0.00 0.00 66.02 63.75 3d9l s SER 22 CO 0.28 -2.68 1.83 0.50 0.98 0.00 0.00 173.24 174.14 3d9l h LYS 23 N -1.22 0.77 -0.15 4.02 1.63 -1.99 -2.40 116.57 117.23 3d9l h LYS 23 Ca -0.45 -0.16 -0.00 0.00 -0.85 0.00 0.00 60.65 59.18 3d9l h LYS 23 Cb 1.27 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.79 3d9l h LYS 23 CO 0.46 0.72 0.08 0.00 -3.45 0.00 0.00 179.45 177.25 3d9l h ALA 24 N 1.36 0.20 -0.68 5.00 0.00 -1.99 -0.34 119.26 122.80 3d9l h ALA 24 Ca 0.16 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3d9l h ALA 24 Cb 0.32 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3d9l h ALA 24 CO 0.00 -0.26 0.24 -0.22 0.00 0.00 0.00 179.25 179.01 3d9l h LYS 25 N 0.14 1.05 -0.75 0.00 1.63 -1.94 -2.17 116.57 114.53 3d9l h LYS 25 Ca 0.05 -0.21 -0.03 0.00 -0.85 0.00 0.00 60.65 59.61 3d9l h LYS 25 Cb 0.09 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.53 3d9l h LYS 25 CO -0.01 0.89 0.35 1.98 -3.45 0.00 0.00 179.45 179.21 3d9l h MET 26 N 0.99 1.07 -0.58 1.90 4.05 -1.12 -2.12 114.93 119.12 3d9l h MET 26 Ca 0.22 -0.16 -0.04 0.00 -0.28 0.00 0.00 59.70 59.45 3d9l h MET 26 Cb 0.27 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 30.85 3d9l h MET 26 CO -0.01 0.84 0.20 1.15 0.23 0.00 0.00 176.91 179.32 3d9l h THR 27 N 1.06 1.22 0.08 -0.77 2.02 -0.76 -1.03 112.91 114.72 3d9l h THR 27 Ca 0.26 -0.71 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 3d9l h THR 27 Cb 0.13 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3d9l h THR 27 CO -0.03 0.28 -0.04 1.56 0.37 0.00 0.00 175.52 177.66 3d9l h GLN 28 N 0.83 -0.10 -0.64 6.66 4.20 -0.88 0.18 115.11 125.36 3d9l h GLN 28 Ca 0.19 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.97 3d9l h GLN 28 Cb 0.20 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.95 3d9l h GLN 28 CO -0.01 0.08 0.35 0.82 -0.67 0.00 0.00 178.83 179.40 3d9l h ILE 29 N -0.26 0.97 -0.40 2.54 2.04 -1.26 -2.18 117.51 118.96 3d9l h ILE 29 Ca -0.01 -0.23 -0.09 0.00 1.00 0.00 0.00 64.86 65.54 3d9l h ILE 29 Cb 0.23 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 3d9l h ILE 29 CO 0.02 0.12 -0.09 0.74 0.00 0.00 0.00 178.15 178.94 3d9l h THR 30 N 0.66 1.27 -0.72 -0.27 2.02 -0.99 -1.73 112.91 113.16 3d9l h THR 30 Ca 0.29 -1.17 0.02 0.00 0.77 0.00 0.00 66.41 66.32 3d9l h THR 30 Cb 0.17 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.75 3d9l h THR 30 CO -0.18 0.39 0.47 0.11 0.37 0.00 0.00 175.52 176.68 3d9l h LYS 31 N 0.59 0.90 -0.79 6.66 1.57 -0.49 -1.58 116.57 123.44 3d9l h LYS 31 Ca 0.10 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3d9l h LYS 31 Cb 0.61 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 3d9l h LYS 31 CO 0.04 0.60 0.48 0.00 -0.57 0.00 0.00 179.45 179.99 3d9l h ALA 32 N 1.29 1.00 -0.40 3.86 0.00 -1.24 -0.91 119.26 122.85 3d9l h ALA 32 Ca 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3d9l h ALA 32 Cb -0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 3d9l h ALA 32 CO -0.08 0.46 0.22 0.00 0.00 0.00 0.00 179.25 179.85 3d9l h ALA 33 N 1.25 0.51 -0.62 0.00 0.00 -0.89 -1.93 119.26 117.59 3d9l h ALA 33 Ca 0.28 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 3d9l h ALA 33 Cb -0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3d9l h ALA 33 CO -0.05 0.04 0.02 0.82 0.00 0.00 0.00 179.25 180.08 3d9l h ILE 34 N 0.52 1.27 0.00 0.00 1.08 -1.12 -1.79 117.51 117.46 3d9l h ILE 34 Ca 0.14 -1.13 -0.03 0.00 -0.39 0.00 0.00 64.86 63.45 3d9l h ILE 34 Cb 0.05 0.77 -0.00 0.00 -3.07 0.00 0.00 36.82 34.57 3d9l h ILE 34 CO -0.02 0.41 -0.14 0.11 -0.69 0.00 0.00 178.15 177.82 3d9l h LYS 35 N 0.98 0.00 -0.72 2.37 1.57 -1.08 -1.89 116.57 117.80 3d9l h LYS 35 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3d9l h LYS 35 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3d9l h LYS 35 CO 0.03 0.14 0.00 0.00 -0.57 0.00 0.00 179.45 179.05 3d9l n ALA 36 N -2.38 3.18 -0.32 3.86 0.00 -0.69 -4.67 120.51 119.49 3d9l n ALA 36 Ca -0.02 -1.04 0.20 0.00 0.00 0.00 0.00 53.44 52.58 3d9l n ALA 36 Cb 0.23 -1.06 0.46 0.00 0.00 0.00 0.00 19.45 19.08 3d9l n ALA 36 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3d9l h ILE 37 N 2.29 0.57 -0.29 0.00 6.09 -1.15 0.24 117.51 125.26 3d9l h ILE 37 Ca 0.00 -0.17 -0.02 0.00 -1.37 0.00 0.00 64.86 63.30 3d9l h ILE 37 Cb 1.24 0.05 -0.02 0.00 0.47 0.00 0.00 36.82 38.57 3d9l h ILE 37 CO 0.25 0.09 0.08 0.50 -3.07 0.00 0.00 178.15 176.00 3d9l h LYS 38 N 0.48 0.41 -0.94 2.19 3.64 -1.87 -2.44 116.57 118.04 3d9l h LYS 38 Ca 0.58 -0.05 -0.58 0.00 -1.27 0.00 0.00 60.65 59.33 3d9l h LYS 38 Cb 1.33 -0.08 -0.29 0.00 -0.41 0.00 0.00 32.23 32.78 3d9l h LYS 38 CO -0.32 0.37 0.63 1.19 -2.27 0.00 0.00 179.45 179.06 3d9l n PHE 39 N -4.39 3.01 0.08 1.91 3.72 0.82 -4.71 117.46 117.90 3d9l n PHE 39 Ca 0.01 -2.48 0.12 0.00 -0.05 0.00 0.00 57.45 55.05 3d9l n PHE 39 Cb 0.16 -1.15 0.61 0.00 -0.94 0.00 0.00 39.48 38.15 3d9l n PHE 39 CO 0.00 0.00 0.00 0.10 -0.05 0.00 0.00 176.76 176.81 3d9l h TYR 40 N 1.60 0.14 -0.34 1.38 -0.00 -1.28 -1.13 116.97 117.34 3d9l h TYR 40 Ca 0.58 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 59.26 3d9l h TYR 40 Cb 1.63 -0.05 -0.02 0.00 0.00 0.00 0.00 36.73 38.30 3d9l h TYR 40 CO 1.43 0.07 -0.03 0.87 -0.00 0.00 0.00 178.16 180.50 3d9l h LYS 41 N 0.14 0.55 -0.10 0.10 1.57 -1.87 -1.61 116.57 115.35 3d9l h LYS 41 Ca 0.15 -0.13 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 3d9l h LYS 41 Cb 0.43 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3d9l h LYS 41 CO -0.02 0.60 -0.40 0.45 -0.57 0.00 0.00 179.45 179.51 3d9l h HIS 42 N 0.52 0.59 -0.50 -1.35 3.86 -1.61 -2.51 115.15 114.14 3d9l h HIS 42 Ca 0.11 -0.25 0.10 0.00 -1.16 0.00 0.00 60.37 59.16 3d9l h HIS 42 Cb 0.38 -0.09 -0.08 0.00 1.06 0.00 0.00 27.41 28.68 3d9l h HIS 42 CO 0.01 1.00 -0.01 0.28 0.86 0.00 0.00 177.93 180.08 3d9l h VAL 43 N 0.00 0.60 -0.42 2.45 2.07 -1.29 0.91 116.25 120.57 3d9l h VAL 43 Ca -0.02 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 3d9l h VAL 43 Cb 1.04 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3d9l h VAL 43 CO 0.08 0.02 0.20 0.58 0.02 0.00 0.00 177.57 178.47 3d9l h VAL 44 N 0.11 1.18 -0.33 2.57 2.07 -1.33 -0.37 116.25 120.15 3d9l h VAL 44 Ca 0.25 -0.53 0.02 0.00 0.82 0.00 0.00 66.70 67.27 3d9l h VAL 44 Cb 0.38 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3d9l h VAL 44 CO -0.43 0.20 0.18 -0.61 0.02 0.00 0.00 177.57 176.93 3d9l h GLN 45 N 0.54 0.35 -0.78 1.57 4.15 -1.05 -0.25 115.11 119.64 3d9l h GLN 45 Ca 0.14 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.55 3d9l h GLN 45 Cb 0.13 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.70 3d9l h GLN 45 CO -0.02 0.23 0.52 0.77 -1.93 0.00 0.00 178.83 178.40 3d9l h SER 46 N 0.36 0.89 -0.55 -0.69 0.02 -0.49 -0.61 113.55 112.49 3d9l h SER 46 Ca 0.14 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 3d9l h SER 46 Cb 0.03 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 3d9l h SER 46 CO -0.08 0.64 0.08 0.58 -1.14 0.00 0.00 176.83 176.91 3d9l h VAL 47 N 1.05 1.26 -0.79 2.27 2.07 -0.58 -1.86 116.25 119.66 3d9l h VAL 47 Ca 0.29 -0.98 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 3d9l h VAL 47 Cb -0.11 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 3d9l h VAL 47 CO -0.07 0.35 0.33 -0.33 0.02 0.00 0.00 177.57 177.88 3d9l h GLU 48 N 0.81 1.16 -0.49 1.57 5.08 -0.64 -1.46 114.58 120.61 3d9l h GLU 48 Ca 0.17 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 3d9l h GLU 48 Cb 0.42 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3d9l h GLU 48 CO 0.01 0.93 -0.17 -0.22 -1.00 0.00 0.00 179.01 178.56 3d9l h LYS 49 N 1.13 0.97 -0.06 2.33 3.64 -1.02 -1.29 116.57 122.27 3d9l h LYS 49 Ca 0.26 -0.39 0.02 0.00 -1.27 0.00 0.00 60.65 59.28 3d9l h LYS 49 Cb 0.19 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 3d9l h LYS 49 CO -0.02 1.06 -0.06 0.35 -2.27 0.00 0.00 179.45 178.50 3d9l h PHE 50 N 0.85 -0.15 0.00 1.91 3.57 -1.08 0.22 116.94 122.26 3d9l h PHE 50 Ca 0.12 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 3d9l h PHE 50 Cb 0.74 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.55 3d9l h PHE 50 CO 0.05 -0.10 -0.15 0.82 -2.23 0.00 0.00 178.31 176.70 3d9l h ILE 51 N -0.08 0.98 0.10 1.41 2.04 -1.16 0.22 117.51 121.02 3d9l h ILE 51 Ca 0.05 -0.52 -0.29 0.00 1.00 0.00 0.00 64.86 65.10 3d9l h ILE 51 Cb 0.14 1.29 0.02 0.00 -0.74 0.00 0.00 36.82 37.54 3d9l h ILE 51 CO -0.11 0.14 -1.21 -0.61 0.00 0.00 0.00 178.15 176.37 3d9l h GLN 52 N 0.00 0.55 0.00 2.37 4.15 -0.77 -3.38 115.11 118.03 3d9l h GLN 52 Ca -0.00 -0.74 0.00 0.00 0.77 0.00 0.00 58.65 58.68 3d9l h GLN 52 Cb 0.28 0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.21 3d9l h GLN 52 CO 0.02 1.32 -1.27 1.63 -1.93 0.00 0.00 178.83 178.60 3d9l n LYS 53 N -3.75 0.22 -1.59 1.69 5.02 0.74 -5.01 118.16 115.47 3d9l n LYS 53 Ca -0.12 -0.06 -0.30 0.00 -2.02 0.00 0.00 58.31 55.81 3d9l n LYS 53 Cb 0.97 -1.52 0.07 0.00 -0.02 0.00 0.00 35.03 34.53 3d9l n LYS 53 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3d9l s LYS 55 N -5.12 2.63 0.47 0.00 1.02 -1.26 -4.91 119.74 112.56 3d9l s LYS 55 Ca 0.59 1.84 0.25 0.00 0.02 0.00 0.00 55.97 58.67 3d9l s LYS 55 Cb -0.14 -1.88 1.29 0.00 -0.52 0.00 0.00 37.83 36.57 3d9l s LYS 55 CO 0.54 -1.48 1.82 -1.35 -0.92 0.00 0.00 175.35 173.97 3d9l h PRO 56 N 0.43 0.21 0.00 -1.68 0.11 -1.96 0.05 132.00 129.17 3d9l h PRO 56 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3d9l h PRO 56 Cb 1.30 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3d9l h PRO 56 CO 0.53 0.14 0.00 -0.85 -0.21 0.00 0.00 178.00 177.61 3d9l n GLU 57 N -4.42 0.33 -0.09 1.05 0.00 -1.26 -2.64 120.64 113.61 3d9l n GLU 57 Ca 0.23 0.05 0.08 0.00 0.00 0.00 0.00 57.16 57.51 3d9l n GLU 57 Cb 0.94 -1.50 0.12 0.00 0.00 0.00 0.00 31.44 31.00 3d9l n GLU 57 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3d9l n TYR 58 N -1.30 0.23 0.17 -1.84 4.01 0.00 -4.53 117.16 113.90 3d9l n TYR 58 Ca 0.12 -0.17 -0.14 0.00 -0.16 0.00 0.00 57.90 57.54 3d9l n TYR 58 Cb 0.21 -0.01 -0.08 0.00 -0.31 0.00 0.00 39.34 39.15 3d9l n TYR 58 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3d9l h LYS 59 N 3.00 -0.38 0.11 -0.72 1.79 -1.54 -0.92 116.57 117.90 3d9l h LYS 59 Ca 0.00 0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 3d9l h LYS 59 Cb 0.71 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 3d9l h LYS 59 CO 0.00 -0.18 -0.05 0.28 -1.08 0.00 0.00 179.45 178.42 3d9l h VAL 60 N -0.49 0.92 -0.98 0.50 2.07 -1.80 0.82 116.25 117.29 3d9l h VAL 60 Ca -0.04 -0.10 0.20 0.00 0.82 0.00 0.00 66.70 67.58 3d9l h VAL 60 Cb 0.37 0.98 -0.11 0.00 -1.52 0.00 0.00 31.29 31.01 3d9l h VAL 60 CO 0.07 0.02 0.57 -0.65 0.02 0.00 0.00 177.57 177.60 3d9l h PRO 61 N -0.19 0.66 -0.84 1.57 0.11 -1.80 0.19 132.00 131.70 3d9l h PRO 61 Ca -0.01 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 3d9l h PRO 61 Cb 0.15 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 3d9l h PRO 61 CO 0.02 0.44 0.45 0.78 -0.21 0.00 0.00 178.00 179.48 3d9l h GLY 62 N 0.68 1.25 1.04 -0.55 0.00 -0.42 0.47 103.07 105.55 3d9l h GLY 62 Ca 0.58 -0.57 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 3d9l h GLY 62 CO -0.41 0.55 0.24 -2.00 0.00 0.00 0.00 176.54 174.91 3d9l h LEU 63 N 1.17 1.04 -1.47 3.11 5.85 0.32 -2.84 115.31 122.49 3d9l h LEU 63 Ca 0.29 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3d9l h LEU 63 Cb 0.04 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 3d9l h LEU 63 CO -0.05 0.96 0.12 1.88 -0.34 0.00 0.00 178.44 181.01 3d9l h TYR 64 N 1.06 0.46 -0.27 1.25 0.05 -0.10 -0.66 116.97 118.75 3d9l h TYR 64 Ca 0.23 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.00 3d9l h TYR 64 Cb 0.29 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 3d9l h TYR 64 CO 0.02 0.38 0.18 0.28 -1.05 0.00 0.00 178.16 177.97 3d9l h VAL 65 N 0.47 1.08 -0.25 -2.88 2.07 -0.69 0.25 116.25 116.29 3d9l h VAL 65 Ca 0.11 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.49 3d9l h VAL 65 Cb 0.12 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3d9l h VAL 65 CO -0.01 0.07 0.15 0.40 0.02 0.00 0.00 177.57 178.20 3d9l h ILE 66 N 0.37 1.03 -0.08 4.57 2.04 -1.20 -1.11 117.51 123.13 3d9l h ILE 66 Ca 0.10 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 65.87 3d9l h ILE 66 Cb -0.03 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3d9l h ILE 66 CO -0.02 0.05 0.00 -0.78 0.00 0.00 0.00 178.15 177.41 3d9l h ASP 67 N 0.30 -0.02 -0.45 1.72 3.58 -0.90 -0.91 116.42 119.73 3d9l h ASP 67 Ca 0.09 0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.52 3d9l h ASP 67 Cb -0.01 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 3d9l h ASP 67 CO -0.04 0.00 0.13 -1.28 -2.88 0.00 0.00 179.24 175.17 3d9l h SER 68 N 0.03 0.67 -0.08 2.28 0.87 -0.33 0.46 113.55 117.45 3d9l h SER 68 Ca 0.03 -0.22 -0.00 0.00 -1.23 0.00 0.00 61.79 60.37 3d9l h SER 68 Cb 0.04 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.82 3d9l h SER 68 CO -0.06 0.71 0.04 0.40 -0.53 0.00 0.00 176.83 177.39 3d9l h ILE 69 N 0.60 1.12 0.01 2.23 2.04 -1.14 0.97 117.51 123.33 3d9l h ILE 69 Ca 0.14 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 3d9l h ILE 69 Cb 0.29 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 3d9l h ILE 69 CO -0.00 0.10 -0.00 0.58 0.00 0.00 0.00 178.15 178.83 3d9l h VAL 70 N -0.00 1.12 -0.60 1.67 2.07 -1.05 0.79 116.25 120.26 3d9l h VAL 70 Ca 0.03 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 3d9l h VAL 70 Cb 0.13 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 3d9l h VAL 70 CO -0.00 0.10 0.23 0.03 0.02 0.00 0.00 177.57 177.95 3d9l h ARG 71 N -0.18 0.90 -0.26 1.57 3.08 -0.89 -0.65 114.38 117.96 3d9l h ARG 71 Ca -0.00 -0.17 -0.11 0.00 0.07 0.00 0.00 59.98 59.77 3d9l h ARG 71 Cb 0.17 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3d9l h ARG 71 CO 0.00 0.77 -0.31 0.37 -1.07 0.00 0.00 179.97 179.73 3d9l h GLN 72 N 0.83 0.54 -0.28 0.04 5.75 -0.70 -0.55 115.11 120.73 3d9l h GLN 72 Ca 0.20 -0.23 -0.07 0.00 -0.15 0.00 0.00 58.65 58.40 3d9l h GLN 72 Cb 0.21 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 3d9l h GLN 72 CO -0.02 0.78 -0.08 1.03 -2.65 0.00 0.00 178.83 177.90 3d9l h SER 73 N 0.46 0.55 -0.40 -0.69 0.87 -0.59 0.43 113.55 114.18 3d9l h SER 73 Ca 0.06 -0.37 -0.02 0.00 -1.23 0.00 0.00 61.79 60.23 3d9l h SER 73 Cb 0.77 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 3d9l h SER 73 CO 0.06 0.80 0.21 0.03 -0.53 0.00 0.00 176.83 177.40 3d9l h ARG 74 N 0.30 0.61 -0.05 2.24 3.08 -0.96 0.21 114.38 119.81 3d9l h ARG 74 Ca 0.07 -0.07 -0.22 0.00 0.07 0.00 0.00 59.98 59.83 3d9l h ARG 74 Cb 0.57 -0.12 0.02 0.00 0.08 0.00 0.00 29.97 30.51 3d9l h ARG 74 CO 0.03 0.48 -0.85 1.25 -1.07 0.00 0.00 179.97 179.82 3d9l h HIS 75 N 0.62 0.94 0.13 3.04 2.76 -0.92 -1.83 115.15 119.89 3d9l h HIS 75 Ca 0.16 -0.48 -0.30 0.00 -2.20 0.00 0.00 60.37 57.55 3d9l h HIS 75 Cb 0.07 -0.12 0.03 0.00 1.55 0.00 0.00 27.41 28.94 3d9l h HIS 75 CO 0.00 1.31 -1.25 0.37 -1.30 0.00 0.00 177.93 177.06 3d9l h GLN 76 N 0.31 0.60 -0.00 5.26 4.15 0.29 -3.38 115.11 122.34 3d9l h GLN 76 Ca -0.09 -0.81 0.00 0.00 0.77 0.00 0.00 58.65 58.52 3d9l h GLN 76 Cb 1.50 0.27 0.00 0.00 0.21 0.00 0.00 27.48 29.46 3d9l h GLN 76 CO 0.17 1.37 -0.51 1.19 -1.93 0.00 0.00 178.83 179.12 3d9l n PHE 77 N -3.77 0.00 0.00 3.99 3.72 0.70 -5.07 117.46 117.04 3d9l n PHE 77 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 3d9l n PHE 77 Cb 0.99 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.53 3d9l n PHE 77 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3d9l n GLY 78 N 1.24 2.19 0.31 1.37 0.00 -0.71 -4.54 105.19 105.06 3d9l n GLY 78 Ca 0.02 -1.56 0.01 0.00 0.00 0.00 0.00 46.02 44.49 3d9l n GLY 78 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3d9l h GLN 79 N 0.00 0.88 0.00 1.61 4.20 -1.82 -0.91 115.11 119.07 3d9l h GLN 79 Ca 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3d9l h GLN 79 Cb 0.00 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.58 3d9l h GLN 79 CO 0.00 0.58 0.00 0.39 -0.67 0.00 0.00 178.83 179.13 3d9l n GLU 80 N -4.66 0.10 -0.02 1.46 1.02 -1.26 -3.17 120.64 114.12 3d9l n GLU 80 Ca 0.12 0.06 0.09 0.00 -0.02 0.00 0.00 57.16 57.40 3d9l n GLU 80 Cb 0.18 -1.50 -0.16 0.00 -0.02 0.00 0.00 31.44 29.94 3d9l n GLU 80 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3d9l n LYS 81 N -1.44 0.65 -1.65 3.49 4.76 -0.42 -4.97 118.16 118.58 3d9l n LYS 81 Ca 0.08 -0.17 -0.49 0.00 -2.87 0.00 0.00 58.31 54.86 3d9l n LYS 81 Cb 0.27 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 31.92 3d9l n LYS 81 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3d9l n ASP 82 N -2.27 2.62 -0.00 4.39 2.03 -0.75 -4.87 116.55 117.70 3d9l n ASP 82 Ca -0.06 1.08 0.09 0.00 0.52 0.00 0.00 54.79 56.42 3d9l n ASP 82 Cb 0.60 -1.33 -0.12 0.00 -0.72 0.00 0.00 41.12 39.55 3d9l n ASP 82 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3d9l n VAL 83 N 3.38 0.00 -0.02 5.18 0.24 -1.26 -4.64 118.33 121.21 3d9l n VAL 83 Ca 0.19 -0.17 -0.16 0.00 -2.04 0.00 0.00 64.34 62.16 3d9l n VAL 83 Cb 0.25 0.71 -0.12 0.00 -1.47 0.00 0.00 33.84 33.21 3d9l n VAL 83 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 3d9l h PHE 84 N 0.00 0.34 -0.03 6.34 0.04 -1.95 -2.92 116.94 118.77 3d9l h PHE 84 Ca 0.00 -0.19 0.03 0.00 2.80 0.00 0.00 57.97 60.60 3d9l h PHE 84 Cb 0.59 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.67 3d9l h PHE 84 CO 0.00 1.02 -0.15 0.00 -0.60 0.00 0.00 178.31 178.58 3d9l h ALA 85 N 0.25 -0.15 -0.99 2.45 0.00 -1.92 0.14 119.26 119.03 3d9l h ALA 85 Ca -0.05 0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.97 3d9l h ALA 85 Cb 1.12 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 19.10 3d9l h ALA 85 CO 0.07 -0.63 0.63 -1.35 0.00 0.00 0.00 179.25 177.97 3d9l h PRO 86 N -0.23 1.05 -0.14 0.00 0.11 -1.82 -2.41 132.00 128.55 3d9l h PRO 86 Ca 0.06 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.00 3d9l h PRO 86 Cb 0.31 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.18 3d9l h PRO 86 CO -0.16 0.69 -0.31 -0.09 -0.21 0.00 0.00 178.00 177.92 3d9l h ARG 87 N 1.08 0.46 -0.16 1.05 9.65 -1.19 -2.82 114.38 122.44 3d9l h ARG 87 Ca 0.46 -0.31 0.05 0.00 -1.10 0.00 0.00 59.98 59.08 3d9l h ARG 87 Cb 0.32 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.94 3d9l h ARG 87 CO -0.22 0.91 0.23 0.74 2.80 0.00 0.00 179.97 184.43 3d9l h PHE 88 N 0.07 0.00 0.00 2.20 0.04 -0.65 -2.62 116.94 115.97 3d9l h PHE 88 Ca 0.00 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 3d9l h PHE 88 Cb 0.91 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.05 3d9l h PHE 88 CO 0.10 0.00 -0.23 0.66 -0.60 0.00 0.00 178.31 178.24 3d9l h SER 89 N 0.00 0.00 -0.18 2.17 4.64 -1.16 -3.02 113.55 116.00 3d9l h SER 89 Ca 0.08 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.45 3d9l h SER 89 Cb 0.53 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.55 3d9l h SER 89 CO -0.00 0.23 -0.31 0.78 -0.87 0.00 0.00 176.83 176.66 3d9l h ASN 90 N 0.00 -0.99 -0.45 4.97 4.21 -1.52 -3.06 115.58 118.74 3d9l h ASN 90 Ca -0.00 0.15 -0.09 0.00 1.21 0.00 0.00 56.30 57.56 3d9l h ASN 90 Cb 0.99 0.43 -0.06 0.00 -1.12 0.00 0.00 38.32 38.57 3d9l h ASN 90 CO 0.03 -0.34 0.07 0.59 -1.29 0.00 0.00 177.43 176.48 3d9l n ASN 91 N -5.41 4.12 0.14 5.81 3.02 -1.24 -4.74 115.26 116.97 3d9l n ASN 91 Ca -0.02 -3.20 0.03 0.00 -0.03 0.00 0.00 54.58 51.36 3d9l n ASN 91 Cb 0.32 -0.63 0.43 0.00 -0.61 0.00 0.00 39.78 39.29 3d9l n ASN 91 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3d9l h ILE 92 N 2.14 1.15 0.31 2.41 2.10 -1.42 -0.93 117.51 123.26 3d9l h ILE 92 Ca 0.12 -0.64 -0.02 0.00 1.08 0.00 0.00 64.86 65.40 3d9l h ILE 92 Cb 1.80 1.16 0.00 0.00 -1.09 0.00 0.00 36.82 38.70 3d9l h ILE 92 CO 0.43 0.20 -0.15 0.40 -1.08 0.00 0.00 178.15 177.95 3d9l h ILE 93 N 0.19 0.71 -0.96 2.19 1.08 -1.85 -1.33 117.51 117.55 3d9l h ILE 93 Ca 0.04 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.25 3d9l h ILE 93 Cb 0.30 0.86 -0.05 0.00 -3.07 0.00 0.00 36.82 34.86 3d9l h ILE 93 CO 0.02 0.06 0.60 0.77 -0.69 0.00 0.00 178.15 178.90 3d9l h SER 94 N -0.56 1.13 -0.46 1.72 4.64 -1.84 -1.52 113.55 116.66 3d9l h SER 94 Ca -0.04 -0.05 0.07 0.00 -0.47 0.00 0.00 61.79 61.29 3d9l h SER 94 Cb 0.41 -0.29 -0.06 0.00 -0.31 0.00 0.00 62.40 62.16 3d9l h SER 94 CO 0.07 0.85 0.12 0.74 -0.87 0.00 0.00 176.83 177.74 3d9l h THR 95 N 1.32 0.78 0.00 2.95 2.02 -0.89 -1.59 112.91 117.49 3d9l h THR 95 Ca 0.35 -0.09 -0.11 0.00 0.77 0.00 0.00 66.41 67.32 3d9l h THR 95 Cb -0.09 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 3d9l h THR 95 CO -0.07 0.05 -0.54 -0.26 0.37 0.00 0.00 175.52 175.07 3d9l h PHE 96 N 0.26 0.00 -0.92 3.16 -1.00 -0.88 0.81 116.94 118.37 3d9l h PHE 96 Ca 0.22 0.00 0.01 0.00 2.81 0.00 0.00 57.97 61.01 3d9l h PHE 96 Cb 0.27 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.78 3d9l h PHE 96 CO -0.20 0.54 0.60 1.96 -1.61 0.00 0.00 178.31 179.60 3d9l h GLN 97 N 0.00 1.22 -0.21 1.51 4.20 -0.84 0.85 115.11 121.84 3d9l h GLN 97 Ca -0.01 -0.08 -0.12 0.00 0.06 0.00 0.00 58.65 58.50 3d9l h GLN 97 Cb 1.18 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 28.69 3d9l h GLN 97 CO 0.07 0.82 -0.33 -0.91 -0.67 0.00 0.00 178.83 177.80 3d9l h ASN 98 N 1.25 0.66 -0.98 1.46 2.35 -0.95 -3.29 115.58 116.07 3d9l h ASN 98 Ca 0.33 -0.53 0.04 0.00 -0.55 0.00 0.00 56.30 55.59 3d9l h ASN 98 Cb -0.12 -0.19 -0.06 0.00 0.05 0.00 0.00 38.32 38.00 3d9l h ASN 98 CO -0.07 1.06 0.64 -0.07 -1.65 0.00 0.00 177.43 177.34 3d9l h LEU 99 N 0.28 1.07 0.00 1.61 3.38 -0.58 -1.92 115.31 119.16 3d9l h LEU 99 Ca 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3d9l h LEU 99 Cb 0.92 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3d9l h LEU 99 CO 0.08 0.74 0.00 -1.22 0.09 0.00 0.00 178.44 178.12 3d9l n TYR 100 N -4.44 0.00 -0.04 1.13 4.01 0.27 -2.04 117.16 116.05 3d9l n TYR 100 Ca 0.13 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.92 3d9l n TYR 100 Cb 0.09 0.00 0.24 0.00 -0.31 0.00 0.00 39.34 39.36 3d9l n TYR 100 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3d9l n ARG 101 N -0.69 3.18 -1.55 -0.72 1.74 -0.72 -4.94 116.66 112.96 3d9l n ARG 101 Ca 0.06 -1.86 -0.29 0.00 -0.77 0.00 0.00 57.85 54.99 3d9l n ARG 101 Cb 0.03 -1.88 0.15 0.00 -1.02 0.00 0.00 32.46 29.73 3d9l n ARG 101 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3d9l s PRO 103 N -5.35 3.89 0.48 0.00 0.02 -1.26 -4.89 135.00 127.90 3d9l s PRO 103 Ca 0.65 2.25 0.35 0.00 0.02 0.00 0.00 61.00 64.28 3d9l s PRO 103 Cb -0.13 -2.74 1.49 0.00 0.02 0.00 0.00 34.50 33.14 3d9l s PRO 103 CO 0.53 -0.59 1.66 0.78 -0.33 0.00 0.00 177.00 179.05 3d9l h GLY 104 N 2.58 0.72 2.00 0.52 0.00 -1.95 0.31 103.07 107.25 3d9l h GLY 104 Ca -0.50 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 46.76 3d9l h GLY 104 CO 0.62 -0.20 0.00 -0.55 0.00 0.00 0.00 176.54 176.42 3d9l h ASP 105 N 0.08 0.00 0.39 0.19 5.19 -2.04 -3.06 116.42 117.17 3d9l h ASP 105 Ca 0.78 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.19 3d9l h ASP 105 Cb 2.70 0.00 0.00 0.00 0.18 0.00 0.00 39.33 42.21 3d9l h ASP 105 CO -0.23 0.00 -0.49 0.47 -3.12 0.00 0.00 179.24 175.87 3d9l n ASP 106 N -2.72 0.68 -0.11 6.45 9.92 0.11 -4.31 116.55 126.56 3d9l n ASP 106 Ca 0.03 -0.47 -0.01 0.00 -0.53 0.00 0.00 54.79 53.81 3d9l n ASP 106 Cb 0.39 0.30 0.24 0.00 -0.64 0.00 0.00 41.12 41.40 3d9l n ASP 106 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 3d9l h LYS 107 N 0.30 0.78 0.00 -1.24 3.64 -1.54 -1.89 116.57 116.61 3d9l h LYS 107 Ca 0.00 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.20 3d9l h LYS 107 Cb 0.51 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3d9l h LYS 107 CO 0.00 0.67 -0.23 0.66 -2.27 0.00 0.00 179.45 178.28 3d9l h SER 108 N 0.76 0.00 -0.03 4.20 4.64 -1.80 -2.76 113.55 118.57 3d9l h SER 108 Ca 0.18 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.33 3d9l h SER 108 Cb 0.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 3d9l h SER 108 CO -0.01 0.23 -0.54 0.11 -0.87 0.00 0.00 176.83 175.74 3d9l h LYS 109 N 0.00 0.61 -0.05 4.77 1.57 -1.61 -2.02 116.57 119.84 3d9l h LYS 109 Ca -0.00 -0.38 -0.00 0.00 -1.87 0.00 0.00 60.65 58.40 3d9l h LYS 109 Cb 0.62 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 3d9l h LYS 109 CO 0.03 0.99 0.03 0.82 -0.57 0.00 0.00 179.45 180.75 3d9l h ILE 110 N 0.47 1.08 -0.78 1.86 2.04 -1.40 -2.82 117.51 117.95 3d9l h ILE 110 Ca 0.01 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 3d9l h ILE 110 Cb 1.09 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 38.27 3d9l h ILE 110 CO 0.11 0.06 0.48 0.58 0.00 0.00 0.00 178.15 179.38 3d9l h VAL 111 N -0.01 1.22 -0.70 1.67 2.07 -1.52 -1.58 116.25 117.39 3d9l h VAL 111 Ca 0.02 -0.46 0.09 0.00 0.82 0.00 0.00 66.70 67.16 3d9l h VAL 111 Cb 0.08 0.12 -0.07 0.00 -1.52 0.00 0.00 31.29 29.90 3d9l h VAL 111 CO -0.00 0.22 0.35 -0.09 0.02 0.00 0.00 177.57 178.08 3d9l h ARG 112 N 1.07 0.59 -0.46 1.57 2.43 -1.36 -0.28 114.38 117.94 3d9l h ARG 112 Ca 0.28 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.37 3d9l h ARG 112 Cb -0.05 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 3d9l h ARG 112 CO -0.05 0.39 0.11 0.28 -1.51 0.00 0.00 179.97 179.19 3d9l h VAL 113 N 0.61 1.24 -0.88 0.20 2.07 -1.08 -1.51 116.25 116.89 3d9l h VAL 113 Ca 0.34 -0.83 0.02 0.00 0.82 0.00 0.00 66.70 67.05 3d9l h VAL 113 Cb 0.34 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 3d9l h VAL 113 CO -0.26 0.30 0.58 -0.07 0.02 0.00 0.00 177.57 178.13 3d9l h LEU 114 N 0.62 0.98 -0.75 2.57 3.38 -0.79 0.56 115.31 121.89 3d9l h LEU 114 Ca 0.14 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 3d9l h LEU 114 Cb 0.33 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3d9l h LEU 114 CO 0.00 0.70 -0.19 0.78 0.09 0.00 0.00 178.44 179.81 3d9l h ASN 115 N 1.15 0.75 -0.38 -0.43 2.35 -0.87 -1.34 115.58 116.82 3d9l h ASN 115 Ca 0.33 -0.26 -0.16 0.00 -0.55 0.00 0.00 56.30 55.67 3d9l h ASN 115 Cb -0.08 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 3d9l h ASN 115 CO -0.09 0.94 -0.37 -0.07 -1.65 0.00 0.00 177.43 176.19 3d9l h LEU 116 N 0.66 0.99 -1.01 1.61 3.38 -0.89 -0.19 115.31 119.86 3d9l h LEU 116 Ca 0.10 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 3d9l h LEU 116 Cb 0.69 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 3d9l h LEU 116 CO 0.05 1.24 0.58 -0.50 0.09 0.00 0.00 178.44 179.90 3d9l h TRP 117 N 0.76 1.21 -0.06 1.13 6.55 -0.75 0.12 115.95 124.91 3d9l h TRP 117 Ca 0.07 0.01 -0.25 0.00 0.95 0.00 0.00 58.89 59.66 3d9l h TRP 117 Cb 0.96 -0.40 0.02 0.00 -0.86 0.00 0.00 29.16 28.88 3d9l h TRP 117 CO 0.06 0.79 -0.93 0.37 -1.05 0.00 0.00 178.44 177.68 3d9l h GLN 118 N 1.28 0.72 -0.19 0.49 4.15 -1.15 0.23 115.11 120.65 3d9l h GLN 118 Ca 0.34 -0.69 0.01 0.00 0.77 0.00 0.00 58.65 59.08 3d9l h GLN 118 Cb -0.08 0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 3d9l h GLN 118 CO -0.07 1.28 0.08 -0.22 -1.93 0.00 0.00 178.83 177.97 3d9l h LYS 119 N 0.44 0.17 -0.41 1.69 3.64 -0.69 -3.05 116.57 118.36 3d9l h LYS 119 Ca -0.10 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3d9l h LYS 119 Cb 1.57 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 3d9l h LYS 119 CO 0.18 0.11 0.00 0.09 -2.27 0.00 0.00 179.45 177.57 3d9l n ASN 120 N -5.03 2.37 -3.59 4.20 5.03 0.37 -4.94 115.26 113.69 3d9l n ASN 120 Ca -0.03 -1.96 -0.25 0.00 0.87 0.00 0.00 54.58 53.21 3d9l n ASN 120 Cb 0.06 -0.27 0.06 0.00 -1.02 0.00 0.00 39.78 38.61 3d9l n ASN 120 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3d9l n ASN 121 N 0.79 -6.03 0.09 6.41 3.02 -0.85 -4.91 115.26 113.78 3d9l n ASN 121 Ca 0.15 -0.55 -0.04 0.00 -0.03 0.00 0.00 54.58 54.11 3d9l n ASN 121 Cb 0.39 -4.77 -0.01 0.00 -0.61 0.00 0.00 39.78 34.78 3d9l n ASN 121 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3d9l h VAL 122 N -2.41 1.54 -3.74 2.41 2.07 -0.85 -3.45 116.25 111.82 3d9l h VAL 122 Ca -0.56 -2.89 -0.14 0.00 0.82 0.00 0.00 66.70 63.93 3d9l h VAL 122 Cb 1.37 2.58 -0.19 0.00 -1.52 0.00 0.00 31.29 33.53 3d9l h VAL 122 CO 0.58 0.81 -0.54 -0.36 0.02 0.00 0.00 177.57 178.08 3d9l s PHE 123 N -3.02 0.16 0.75 1.57 0.40 -1.22 -4.96 117.98 111.66 3d9l s PHE 123 Ca 0.01 -0.39 -0.12 0.00 -0.60 0.00 0.00 56.93 55.83 3d9l s PHE 123 Cb 0.11 -0.12 0.04 0.00 0.51 0.00 0.00 43.02 43.56 3d9l s PHE 123 CO 0.79 -0.31 1.10 0.15 0.70 0.00 0.00 175.22 177.65 3d9l s LYS 124 N -2.03 2.45 0.58 0.44 1.02 -1.26 -4.52 119.74 116.42 3d9l s LYS 124 Ca -0.10 0.50 0.34 0.00 0.02 0.00 0.00 55.97 56.74 3d9l s LYS 124 Cb -0.05 -1.97 1.75 0.00 -0.52 0.00 0.00 37.83 37.04 3d9l s LYS 124 CO -0.02 -1.33 2.15 0.77 -0.92 0.00 0.00 175.35 176.00 3d9l h SER 125 N -0.87 0.00 -0.32 2.83 0.02 -1.97 -0.85 113.55 112.38 3d9l h SER 125 Ca -0.46 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.43 3d9l h SER 125 Cb 1.27 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.79 3d9l h SER 125 CO 0.62 0.05 -0.00 -0.33 -1.14 0.00 0.00 176.83 176.03 3d9l h GLU 126 N 0.00 0.67 0.09 3.45 3.07 -2.01 -1.25 114.58 118.61 3d9l h GLU 126 Ca -0.00 -0.17 -0.18 0.00 -0.50 0.00 0.00 59.36 58.52 3d9l h GLU 126 Cb 0.26 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 3d9l h GLU 126 CO 0.01 0.70 -0.86 0.82 -1.40 0.00 0.00 179.01 178.27 3d9l h ILE 127 N 0.64 1.37 -0.10 3.13 2.04 -1.65 -3.41 117.51 119.53 3d9l h ILE 127 Ca 0.13 -2.42 -0.23 0.00 1.00 0.00 0.00 64.86 63.34 3d9l h ILE 127 Cb 0.40 2.99 0.01 0.00 -0.74 0.00 0.00 36.82 39.49 3d9l h ILE 127 CO 0.02 0.65 -0.85 0.40 0.00 0.00 0.00 178.15 178.36 3d9l h ILE 128 N -0.56 1.29 -0.35 -0.67 1.08 -1.17 -3.34 117.51 113.81 3d9l h ILE 128 Ca -0.18 -2.08 0.01 0.00 -0.39 0.00 0.00 64.86 62.22 3d9l h ILE 128 Cb 1.50 2.12 -0.02 0.00 -3.07 0.00 0.00 36.82 37.34 3d9l h ILE 128 CO 0.05 0.65 0.20 -0.61 -0.69 0.00 0.00 178.15 177.76 3d9l h GLN 129 N 0.46 0.41 -0.17 2.37 5.75 -1.45 -0.73 115.11 121.76 3d9l h GLN 129 Ca -0.07 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.41 3d9l h GLN 129 Cb 1.48 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.93 3d9l h GLN 129 CO 0.17 0.27 0.11 -1.35 -2.65 0.00 0.00 178.83 175.38 3d9l h PRO 130 N 0.42 0.21 -0.31 -2.39 0.11 -1.78 0.47 132.00 128.73 3d9l h PRO 130 Ca 0.14 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 66.08 3d9l h PRO 130 Cb -0.00 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.06 3d9l h PRO 130 CO -0.06 0.14 -0.39 -0.07 -0.21 0.00 0.00 178.00 177.41 3d9l h LEU 131 N 0.22 0.88 -0.44 2.35 3.38 -1.29 -0.31 115.31 120.11 3d9l h LEU 131 Ca 0.06 -0.49 -0.03 0.00 0.09 0.00 0.00 57.88 57.51 3d9l h LEU 131 Cb -0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3d9l h LEU 131 CO -0.01 1.20 0.17 -0.07 0.09 0.00 0.00 178.44 179.82 3d9l h LEU 132 N 0.59 0.61 -1.30 1.67 3.38 -1.03 -3.03 115.31 116.19 3d9l h LEU 132 Ca 0.04 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3d9l h LEU 132 Cb 0.99 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 3d9l h LEU 132 CO 0.09 0.62 0.26 0.44 0.09 0.00 0.00 178.44 179.95 3d9l h ASP 133 N 0.57 0.67 -0.91 -0.43 3.32 -0.74 -1.98 116.42 116.91 3d9l h ASP 133 Ca 0.15 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 3d9l h ASP 133 Cb 0.21 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 3d9l h ASP 133 CO -0.01 0.56 0.56 0.24 -1.72 0.00 0.00 179.24 178.87 3d9l h MET 134 N 0.75 1.24 0.07 3.56 2.86 -1.00 -1.95 114.93 120.45 3d9l h MET 134 Ca 0.19 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3d9l h MET 134 Cb 0.07 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 31.47 3d9l h MET 134 CO -0.03 0.86 -0.03 0.00 1.06 0.00 0.00 176.91 178.77 3d9l h ALA 135 N 1.31 -0.09 -0.70 6.32 0.00 -1.25 -2.78 119.26 122.06 3d9l h ALA 135 Ca 0.33 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3d9l h ALA 135 Cb -0.07 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3d9l h ALA 135 CO -0.06 -0.51 0.37 0.00 0.00 0.00 0.00 179.25 179.05 3d9l h ALA 136 N 0.74 0.89 0.00 0.00 0.00 -1.42 -2.68 119.26 116.79 3d9l h ALA 136 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3d9l h ALA 136 Cb 0.16 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3d9l h ALA 136 CO 0.02 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.69 3d9l h ALA 137 N 1.18 1.00 -0.02 0.00 0.00 -1.30 -0.65 119.26 119.48 3d9l h ALA 137 Ca 0.24 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 3d9l h ALA 137 Cb 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3d9l h ALA 137 CO -0.04 0.00 -0.47 -0.07 0.00 0.00 0.00 179.25 178.68 3d9l h LEU 138 N 0.00 0.04 0.00 0.00 3.38 -1.19 -3.51 115.31 114.03 3d9l h LEU 138 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3d9l h LEU 138 Cb 0.42 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3d9l h LEU 138 CO 0.00 0.51 0.00 -0.62 0.09 0.00 0.00 178.44 178.42