#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d9l h ALA 3 N 0.00 1.13 -0.02 4.31 0.00 -1.97 -2.29 119.26 120.41 3d9l h ALA 3 Ca 0.00 -0.28 -0.22 0.00 0.00 0.00 0.00 54.91 54.41 3d9l h ALA 3 Cb 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 17.64 3d9l h ALA 3 CO 0.00 0.55 -0.87 0.28 0.00 0.00 0.00 179.25 179.22 3d9l h VAL 4 N 0.63 1.33 -0.40 0.00 2.07 -1.94 -2.30 116.25 115.64 3d9l h VAL 4 Ca 0.12 -2.15 0.06 0.00 0.82 0.00 0.00 66.70 65.54 3d9l h VAL 4 Cb 0.50 2.40 -0.05 0.00 -1.52 0.00 0.00 31.29 32.62 3d9l h VAL 4 CO 0.03 0.66 0.09 0.50 0.02 0.00 0.00 177.57 178.86 3d9l h LYS 5 N 0.25 0.22 0.02 1.57 1.63 -1.98 0.17 116.57 118.44 3d9l h LYS 5 Ca -0.10 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.68 3d9l h LYS 5 Cb 1.53 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 33.11 3d9l h LYS 5 CO 0.17 0.15 -0.01 1.15 -3.45 0.00 0.00 179.45 177.46 3d9l h THR 6 N 0.23 0.97 -0.26 1.00 2.02 -1.39 0.33 112.91 115.81 3d9l h THR 6 Ca 0.19 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.41 3d9l h THR 6 Cb 0.22 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 3d9l h THR 6 CO -0.24 0.00 0.03 0.15 0.37 0.00 0.00 175.52 175.83 3d9l h PHE 7 N -0.03 0.04 -0.88 3.16 3.57 -1.13 0.01 116.94 121.68 3d9l h PHE 7 Ca -0.00 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.66 3d9l h PHE 7 Cb 0.03 0.02 -0.09 0.00 2.79 0.00 0.00 35.95 38.70 3d9l h PHE 7 CO -0.08 -0.01 0.48 -0.91 -2.23 0.00 0.00 178.31 175.57 3d9l h ASN 8 N 0.12 0.63 -0.53 0.41 2.35 -0.40 0.16 115.58 118.31 3d9l h ASN 8 Ca 0.12 0.08 -0.09 0.00 -0.55 0.00 0.00 56.30 55.86 3d9l h ASN 8 Cb 0.14 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 3d9l h ASN 8 CO -0.18 0.28 -0.03 0.28 -1.65 0.00 0.00 177.43 176.13 3d9l h SER 9 N 0.71 0.95 -0.34 5.81 0.02 0.04 -1.34 113.55 119.40 3d9l h SER 9 Ca 0.47 -0.32 -0.08 0.00 -0.84 0.00 0.00 61.79 61.01 3d9l h SER 9 Cb 0.62 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 3d9l h SER 9 CO -0.34 1.04 -0.11 -0.33 -1.14 0.00 0.00 176.83 175.95 3d9l h GLU 10 N 0.83 0.67 0.19 3.45 4.39 -0.43 -2.50 114.58 121.18 3d9l h GLU 10 Ca 0.15 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 3d9l h GLU 10 Cb 0.58 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 3d9l h GLU 10 CO 0.03 0.86 -0.09 1.25 -1.16 0.00 0.00 179.01 179.90 3d9l h LEU 11 N 0.45 -0.22 -0.39 1.33 5.85 -0.63 -3.01 115.31 118.69 3d9l h LEU 11 Ca 0.08 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3d9l h LEU 11 Cb 0.63 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.72 3d9l h LEU 11 CO 0.04 -0.09 0.00 1.88 -0.34 0.00 0.00 178.44 179.93 3d9l h TYR 12 N -0.32 0.00 0.00 1.25 0.05 -1.31 -2.48 116.97 114.16 3d9l h TYR 12 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.75 3d9l h TYR 12 Cb 0.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.99 3d9l h TYR 12 CO -0.04 0.00 0.00 -1.13 -1.05 0.00 0.00 178.16 175.94 3d9l n SER 13 N -2.30 0.00 -0.23 3.88 3.41 -0.94 -2.46 113.62 114.98 3d9l n SER 13 Ca 0.04 0.40 0.22 0.00 -0.26 0.00 0.00 58.87 59.27 3d9l n SER 13 Cb 0.33 -0.45 0.58 0.00 -0.26 0.00 0.00 64.21 64.41 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 0.28 0.00 1.04 3.38 -1.54 -0.11 115.31 118.37 3d9l h LEU 14 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3d9l h LEU 14 Cb 0.22 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3d9l h LEU 14 CO 0.00 0.11 0.00 0.59 0.09 0.00 0.00 178.44 179.23 3d9l n ASN 15 N -4.45 0.00 0.03 -0.43 3.02 -1.03 -1.10 115.26 111.31 3d9l n ASN 15 Ca 0.19 0.49 0.13 0.00 -0.03 0.00 0.00 54.58 55.36 3d9l n ASN 15 Cb 0.79 -0.49 0.41 0.00 -0.61 0.00 0.00 39.78 39.88 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 -1.49 0.41 -4.28 6.41 8.00 -0.05 -4.93 116.55 120.62 3d9l n ASP 16 Ca 0.01 0.27 -0.29 0.00 0.71 0.00 0.00 54.79 55.49 3d9l n ASP 16 Cb 0.04 -0.27 -0.16 0.00 -0.02 0.00 0.00 41.12 40.71 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 -3.05 2.13 -0.21 1.24 1.51 -0.26 -5.10 117.35 113.61 3d9l s TYR 17 Ca 0.11 -0.40 -0.28 0.00 -1.01 0.00 0.00 57.07 55.49 3d9l s TYR 17 Cb 0.16 -1.36 0.00 0.00 -0.11 0.00 0.00 41.96 40.65 3d9l s TYR 17 CO 0.62 -0.02 0.99 0.21 -1.11 0.00 0.00 175.55 176.23 3d9l s LYS 18 N -0.61 4.28 0.64 -0.62 2.47 -1.26 -5.02 119.74 119.61 3d9l s LYS 18 Ca 0.09 1.28 -0.18 0.00 -1.56 0.00 0.00 55.97 55.60 3d9l s LYS 18 Cb -0.09 -3.62 -0.01 0.00 -1.46 0.00 0.00 37.83 32.64 3d9l s LYS 18 CO -0.01 -0.55 1.28 -2.14 0.16 0.00 0.00 175.35 174.10 3d9l s PRO 19 N 2.90 2.62 0.39 4.03 0.02 -1.26 -4.44 135.00 139.26 3d9l s PRO 19 Ca 0.43 2.03 -0.26 0.00 0.02 0.00 0.00 61.00 63.21 3d9l s PRO 19 Cb -0.16 -1.86 -0.09 0.00 0.02 0.00 0.00 34.50 32.42 3d9l s PRO 19 CO 0.08 -1.54 1.29 -2.14 -0.33 0.00 0.00 177.00 174.37 3d9l s PRO 20 N -3.37 4.04 0.18 5.54 0.02 -1.26 -5.16 135.00 134.98 3d9l s PRO 20 Ca 0.82 2.14 -0.26 0.00 0.02 0.00 0.00 61.00 63.71 3d9l s PRO 20 Cb -0.36 -2.80 -0.08 0.00 0.02 0.00 0.00 34.50 31.27 3d9l s PRO 20 CO 0.39 -0.43 0.80 0.42 -0.33 0.00 0.00 177.00 177.85 3d9l s ILE 21 N -1.26 4.32 0.66 2.83 -1.09 -1.26 -5.05 121.20 120.36 3d9l s ILE 21 Ca 0.56 1.77 -0.16 0.00 -2.23 0.00 0.00 60.65 60.58 3d9l s ILE 21 Cb -0.38 -4.17 -0.00 0.00 -1.58 0.00 0.00 42.46 36.33 3d9l s ILE 21 CO 0.49 0.52 1.17 -0.94 -1.23 0.00 0.00 174.94 174.95 3d9l s SER 22 N -1.13 4.85 0.21 3.58 1.04 -1.26 -4.90 113.70 116.09 3d9l s SER 22 Ca 0.37 2.26 -0.09 0.00 0.48 0.00 0.00 55.95 58.96 3d9l s SER 22 Cb -0.24 -2.58 0.26 0.00 0.10 0.00 0.00 66.02 63.56 3d9l s SER 22 CO 0.27 -1.81 1.80 0.50 0.98 0.00 0.00 173.24 174.98 3d9l h LYS 23 N 0.26 0.65 -0.37 4.02 1.63 -1.99 -2.58 116.57 118.19 3d9l h LYS 23 Ca -0.48 -0.04 0.06 0.00 -0.85 0.00 0.00 60.65 59.34 3d9l h LYS 23 Cb 1.28 -0.15 -0.05 0.00 -0.60 0.00 0.00 32.23 32.71 3d9l h LYS 23 CO 0.53 0.43 0.06 0.00 -3.45 0.00 0.00 179.45 177.02 3d9l h ALA 24 N 1.36 0.38 -0.47 5.00 0.00 -1.99 -0.08 119.26 123.47 3d9l h ALA 24 Ca 0.31 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 3d9l h ALA 24 Cb 0.22 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3d9l h ALA 24 CO -0.20 -0.35 0.18 -0.22 0.00 0.00 0.00 179.25 178.66 3d9l h LYS 25 N 0.17 0.71 -0.77 0.00 1.63 -1.89 0.07 116.57 116.50 3d9l h LYS 25 Ca 0.18 -0.14 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 3d9l h LYS 25 Cb 0.22 -0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 31.70 3d9l h LYS 25 CO -0.25 0.65 0.44 0.52 -3.45 0.00 0.00 179.45 177.36 3d9l h MET 26 N 0.62 1.06 -0.81 1.90 2.86 -1.16 -1.21 114.93 118.19 3d9l h MET 26 Ca 0.16 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 3d9l h MET 26 Cb 0.21 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 3d9l h MET 26 CO -0.01 0.77 0.47 1.15 1.06 0.00 0.00 176.91 180.35 3d9l h THR 27 N 1.06 1.23 -0.21 2.22 2.02 -0.74 -0.85 112.91 117.64 3d9l h THR 27 Ca 0.27 -0.55 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 3d9l h THR 27 Cb 0.01 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 3d9l h THR 27 CO -0.05 0.25 0.12 1.56 0.37 0.00 0.00 175.52 177.78 3d9l h GLN 28 N 1.12 0.29 -0.73 6.66 1.08 -0.55 0.23 115.11 123.20 3d9l h GLN 28 Ca 0.29 -0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.49 3d9l h GLN 28 Cb -0.00 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.32 3d9l h GLN 28 CO -0.05 0.26 0.46 0.82 -0.95 0.00 0.00 178.83 179.37 3d9l h ILE 29 N 0.25 1.10 -0.01 2.54 2.04 -1.09 -1.31 117.51 121.01 3d9l h ILE 29 Ca 0.08 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 3d9l h ILE 29 Cb 0.05 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.25 3d9l h ILE 29 CO -0.01 0.16 0.00 0.74 0.00 0.00 0.00 178.15 179.04 3d9l h THR 30 N 0.89 1.19 -0.79 -0.27 2.02 -0.93 -1.29 112.91 113.73 3d9l h THR 30 Ca 0.30 -0.55 0.04 0.00 0.77 0.00 0.00 66.41 66.97 3d9l h THR 30 Cb 0.03 1.53 -0.05 0.00 -1.74 0.00 0.00 68.15 67.92 3d9l h THR 30 CO -0.12 0.14 0.49 0.11 0.37 0.00 0.00 175.52 176.52 3d9l h LYS 31 N -0.20 0.92 -0.59 6.66 1.57 -0.89 0.37 116.57 124.40 3d9l h LYS 31 Ca 0.00 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3d9l h LYS 31 Cb 0.23 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 3d9l h LYS 31 CO 0.00 0.61 0.26 0.00 -0.57 0.00 0.00 179.45 179.75 3d9l h ALA 32 N 1.34 1.35 -0.08 3.86 0.00 -1.12 0.38 119.26 125.00 3d9l h ALA 32 Ca 0.32 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3d9l h ALA 32 Cb 0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3d9l h ALA 32 CO -0.13 0.50 -0.09 0.00 0.00 0.00 0.00 179.25 179.53 3d9l h ALA 33 N 1.45 0.12 0.00 0.00 0.00 -0.15 -1.91 119.26 118.77 3d9l h ALA 33 Ca 0.20 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3d9l h ALA 33 Cb 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3d9l h ALA 33 CO -0.02 -0.05 -0.38 0.82 0.00 0.00 0.00 179.25 179.61 3d9l h ILE 34 N -0.22 1.11 0.00 0.00 1.08 -0.15 -0.84 117.51 118.49 3d9l h ILE 34 Ca 0.01 -1.38 -0.09 0.00 -0.39 0.00 0.00 64.86 63.01 3d9l h ILE 34 Cb 0.60 1.78 -0.01 0.00 -3.07 0.00 0.00 36.82 36.11 3d9l h ILE 34 CO 0.02 0.37 -0.47 0.11 -0.69 0.00 0.00 178.15 177.49 3d9l h LYS 35 N 0.00 0.00 -0.91 2.37 1.57 -0.98 -3.19 116.57 115.43 3d9l h LYS 35 Ca -0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 3d9l h LYS 35 Cb 0.75 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.94 3d9l h LYS 35 CO 0.05 0.41 0.25 0.00 -0.57 0.00 0.00 179.45 179.60 3d9l n ALA 36 N -2.21 4.01 0.27 3.86 0.00 -0.35 -4.66 120.51 121.42 3d9l n ALA 36 Ca 0.02 -1.54 0.14 0.00 0.00 0.00 0.00 53.44 52.05 3d9l n ALA 36 Cb 0.71 -1.20 0.78 0.00 0.00 0.00 0.00 19.45 19.73 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 1.27 0.52 -0.32 0.00 2.10 -1.46 0.63 117.51 120.25 3d9l h ILE 37 Ca 0.25 -0.42 -0.01 0.00 1.08 0.00 0.00 64.86 65.76 3d9l h ILE 37 Cb 1.87 1.27 -0.02 0.00 -1.09 0.00 0.00 36.82 38.86 3d9l h ILE 37 CO 0.54 0.09 0.17 0.50 -1.08 0.00 0.00 178.15 178.36 3d9l h LYS 38 N 0.00 0.43 -0.72 2.19 3.64 -1.89 -2.92 116.57 117.30 3d9l h LYS 38 Ca -0.00 -0.04 -0.48 0.00 -1.27 0.00 0.00 60.65 58.86 3d9l h LYS 38 Cb 0.27 -0.09 -0.28 0.00 -0.41 0.00 0.00 32.23 31.71 3d9l h LYS 38 CO 0.01 0.33 0.01 1.19 -2.27 0.00 0.00 179.45 178.72 3d9l n PHE 39 N -4.45 2.42 -0.06 1.91 3.72 0.20 -4.80 117.46 116.40 3d9l n PHE 39 Ca 0.02 -2.26 0.23 0.00 -0.05 0.00 0.00 57.45 55.39 3d9l n PHE 39 Cb 0.10 -0.76 0.70 0.00 -0.94 0.00 0.00 39.48 38.58 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 1.69 0.01 -0.33 1.38 -0.00 -1.43 -0.53 116.97 117.75 3d9l h TYR 40 Ca 0.42 0.00 -0.11 0.00 -0.00 0.00 0.00 58.73 59.03 3d9l h TYR 40 Cb 1.45 -0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 38.17 3d9l h TYR 40 CO 1.14 0.00 -0.25 0.87 -0.00 0.00 0.00 178.16 179.92 3d9l h LYS 41 N 0.01 0.67 -0.14 0.10 1.57 -1.88 -0.54 116.57 116.34 3d9l h LYS 41 Ca 0.31 -0.27 -0.22 0.00 -1.87 0.00 0.00 60.65 58.60 3d9l h LYS 41 Cb 1.24 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.53 3d9l h LYS 41 CO -0.00 0.86 -0.77 0.45 -0.57 0.00 0.00 179.45 179.41 3d9l h HIS 42 N 0.58 0.99 -0.10 -1.35 3.86 -1.51 -1.79 115.15 115.83 3d9l h HIS 42 Ca 0.08 -0.44 0.02 0.00 -1.16 0.00 0.00 60.37 58.88 3d9l h HIS 42 Cb 0.74 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 29.03 3d9l h HIS 42 CO 0.03 1.26 -0.05 0.28 0.86 0.00 0.00 177.93 180.31 3d9l h VAL 43 N 0.50 0.84 -0.36 2.45 2.07 -1.18 0.81 116.25 121.37 3d9l h VAL 43 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3d9l h VAL 43 Cb 1.39 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 3d9l h VAL 43 CO 0.15 0.00 0.24 0.58 0.02 0.00 0.00 177.57 178.56 3d9l h VAL 44 N -0.04 1.09 -0.50 2.57 2.07 -1.13 -1.20 116.25 119.10 3d9l h VAL 44 Ca 0.06 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.46 3d9l h VAL 44 Cb 0.13 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 3d9l h VAL 44 CO -0.13 0.09 0.23 -0.61 0.02 0.00 0.00 177.57 177.17 3d9l h GLN 45 N 0.49 0.44 -0.50 1.57 4.15 -1.00 -0.64 115.11 119.61 3d9l h GLN 45 Ca 0.13 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.51 3d9l h GLN 45 Cb -0.05 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 3d9l h GLN 45 CO -0.03 0.29 0.24 0.77 -1.93 0.00 0.00 178.83 178.17 3d9l h SER 46 N 0.45 0.66 -0.36 -0.69 0.02 -0.60 0.51 113.55 113.54 3d9l h SER 46 Ca 0.23 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3d9l h SER 46 Cb 0.17 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 3d9l h SER 46 CO -0.18 0.61 0.24 0.58 -1.14 0.00 0.00 176.83 176.93 3d9l h VAL 47 N 0.67 1.10 -0.69 2.27 2.07 -0.91 -0.62 116.25 120.14 3d9l h VAL 47 Ca 0.17 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 3d9l h VAL 47 Cb 0.12 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 3d9l h VAL 47 CO -0.02 0.09 0.29 -0.33 0.02 0.00 0.00 177.57 177.63 3d9l h GLU 48 N 0.49 1.02 -0.02 1.57 5.08 -0.99 -1.07 114.58 120.65 3d9l h GLU 48 Ca 0.13 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3d9l h GLU 48 Cb -0.05 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.03 3d9l h GLU 48 CO -0.03 0.83 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.59 3d9l h LYS 49 N 0.97 -0.00 -0.39 2.33 3.64 -0.78 -0.26 116.57 122.07 3d9l h LYS 49 Ca 0.23 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.69 3d9l h LYS 49 Cb 0.18 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.93 3d9l h LYS 49 CO -0.02 -0.00 -0.04 0.35 -2.27 0.00 0.00 179.45 177.46 3d9l h PHE 50 N -0.00 -0.10 -0.43 1.91 3.57 -0.95 -0.98 116.94 119.96 3d9l h PHE 50 Ca 0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 3d9l h PHE 50 Cb 0.02 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 3d9l h PHE 50 CO -0.10 -0.12 0.24 0.82 -2.23 0.00 0.00 178.31 176.92 3d9l h ILE 51 N 0.06 1.13 -0.47 1.41 2.04 -1.02 0.15 117.51 120.81 3d9l h ILE 51 Ca 0.19 -0.33 -0.11 0.00 1.00 0.00 0.00 64.86 65.61 3d9l h ILE 51 Cb 0.28 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3d9l h ILE 51 CO -0.36 0.14 -0.14 -0.61 0.00 0.00 0.00 178.15 177.18 3d9l h GLN 52 N 0.59 0.93 0.00 2.37 4.15 0.02 -3.37 115.11 119.80 3d9l h GLN 52 Ca 0.15 -0.37 -0.26 0.00 0.77 0.00 0.00 58.65 58.94 3d9l h GLN 52 Cb 0.01 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.61 3d9l h GLN 52 CO -0.03 1.03 -2.08 1.63 -1.93 0.00 0.00 178.83 177.46 3d9l n LYS 53 N -4.20 0.67 -0.88 1.69 4.76 -0.47 -5.01 118.16 114.71 3d9l n LYS 53 Ca 0.00 0.03 -0.32 0.00 -2.87 0.00 0.00 58.31 55.16 3d9l n LYS 53 Cb 0.41 -1.60 0.15 0.00 -1.84 0.00 0.00 35.03 32.15 3d9l n LYS 53 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3d9l s LYS 55 N -4.54 2.24 0.35 0.00 1.02 -1.26 -4.93 119.74 112.62 3d9l s LYS 55 Ca 0.68 1.91 0.14 0.00 0.02 0.00 0.00 55.97 58.71 3d9l s LYS 55 Cb -0.23 -1.83 1.00 0.00 -0.52 0.00 0.00 37.83 36.25 3d9l s LYS 55 CO 0.56 -1.79 1.73 -1.35 -0.92 0.00 0.00 175.35 173.57 3d9l h PRO 56 N 0.00 0.46 0.00 -1.68 0.11 -1.94 -1.17 132.00 127.78 3d9l h PRO 56 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3d9l h PRO 56 Cb 1.32 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3d9l h PRO 56 CO 0.51 0.30 0.00 1.05 -0.21 0.00 0.00 178.00 179.65 3d9l h GLU 57 N 0.47 0.00 -0.09 1.05 9.09 -1.91 -2.75 114.58 120.44 3d9l h GLU 57 Ca 0.65 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.06 3d9l h GLU 57 Cb 1.42 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.52 3d9l h GLU 57 CO -0.44 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.28 3d9l n TYR 58 N -2.74 0.08 0.01 2.06 4.01 -0.44 -4.45 117.16 115.69 3d9l n TYR 58 Ca -0.01 -0.04 -0.12 0.00 -0.16 0.00 0.00 57.90 57.57 3d9l n TYR 58 Cb 0.15 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.10 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 4.46 0.03 0.03 -0.72 1.79 -1.58 0.11 116.57 120.70 3d9l h LYS 59 Ca 0.00 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3d9l h LYS 59 Cb 0.95 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 3d9l h LYS 59 CO 0.00 0.18 -0.01 0.28 -1.08 0.00 0.00 179.45 178.81 3d9l h VAL 60 N -0.11 1.08 -0.83 0.50 2.07 -1.80 0.28 116.25 117.44 3d9l h VAL 60 Ca 0.01 -0.35 0.21 0.00 0.82 0.00 0.00 66.70 67.39 3d9l h VAL 60 Cb 0.15 1.31 -0.14 0.00 -1.52 0.00 0.00 31.29 31.10 3d9l h VAL 60 CO -0.00 0.09 0.11 -0.65 0.02 0.00 0.00 177.57 177.14 3d9l h PRO 61 N -0.19 0.14 -0.60 1.57 0.11 -1.78 0.14 132.00 131.40 3d9l h PRO 61 Ca -0.00 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 3d9l h PRO 61 Cb 0.18 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.23 3d9l h PRO 61 CO 0.01 0.09 0.21 0.78 -0.21 0.00 0.00 178.00 178.88 3d9l h GLY 62 N 0.15 0.99 0.98 -0.55 0.00 -0.20 -0.95 103.07 103.49 3d9l h GLY 62 Ca 0.49 -0.57 0.01 0.00 0.00 0.00 0.00 47.33 47.26 3d9l h GLY 62 CO -0.68 0.53 0.59 -2.00 0.00 0.00 0.00 176.54 174.98 3d9l h LEU 63 N 0.85 1.01 -1.67 3.11 5.85 -0.24 -2.38 115.31 121.83 3d9l h LEU 63 Ca 0.20 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 3d9l h LEU 63 Cb 0.26 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3d9l h LEU 63 CO -0.01 0.72 -0.18 1.88 -0.34 0.00 0.00 178.44 180.51 3d9l h TYR 64 N 1.19 0.00 -0.08 1.25 0.05 -0.20 0.43 116.97 119.61 3d9l h TYR 64 Ca 0.33 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.11 3d9l h TYR 64 Cb -0.11 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.62 3d9l h TYR 64 CO -0.01 0.18 0.03 0.28 -1.05 0.00 0.00 178.16 177.59 3d9l h VAL 65 N 0.00 1.16 0.10 -2.88 2.07 -0.81 0.22 116.25 116.10 3d9l h VAL 65 Ca -0.00 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 3d9l h VAL 65 Cb 0.34 1.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3d9l h VAL 65 CO 0.02 0.14 -0.07 0.40 0.02 0.00 0.00 177.57 178.08 3d9l h ILE 66 N -0.04 0.84 -0.27 4.57 2.04 -0.89 -1.54 117.51 122.22 3d9l h ILE 66 Ca 0.03 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.95 3d9l h ILE 66 Cb 0.19 0.84 -0.07 0.00 -0.74 0.00 0.00 36.82 37.04 3d9l h ILE 66 CO -0.00 0.00 -0.17 -0.78 0.00 0.00 0.00 178.15 177.20 3d9l h ASP 67 N -0.17 -0.55 -0.42 1.72 3.58 -0.85 -1.08 116.42 118.63 3d9l h ASP 67 Ca -0.00 0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.56 3d9l h ASP 67 Cb 0.16 0.29 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 3d9l h ASP 67 CO -0.00 -0.21 0.24 -1.28 -2.88 0.00 0.00 179.24 175.11 3d9l h SER 68 N -0.14 0.52 0.15 2.28 0.87 -0.36 -0.29 113.55 116.58 3d9l h SER 68 Ca 0.15 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 3d9l h SER 68 Cb 0.37 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 3d9l h SER 68 CO -0.36 0.45 -0.07 0.40 -0.53 0.00 0.00 176.83 176.72 3d9l h ILE 69 N 0.55 0.96 -0.47 2.23 2.04 -1.14 -1.48 117.51 120.20 3d9l h ILE 69 Ca 0.15 -0.48 -0.07 0.00 1.00 0.00 0.00 64.86 65.46 3d9l h ILE 69 Cb 0.04 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 3d9l h ILE 69 CO -0.03 0.11 0.01 -0.37 0.00 0.00 0.00 178.15 177.88 3d9l h VAL 70 N -0.43 1.26 -0.38 1.67 -1.51 -1.08 -0.71 116.25 115.07 3d9l h VAL 70 Ca -0.02 -1.03 -0.12 0.00 -1.23 0.00 0.00 66.70 64.30 3d9l h VAL 70 Cb 0.34 1.01 -0.01 0.00 -2.13 0.00 0.00 31.29 30.49 3d9l h VAL 70 CO 0.03 0.36 -0.23 0.03 -1.23 0.00 0.00 177.57 176.53 3d9l h ARG 71 N 0.67 0.76 -0.16 5.19 3.08 -1.10 -1.04 114.38 121.79 3d9l h ARG 71 Ca 0.13 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 59.85 3d9l h ARG 71 Cb 0.49 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 3d9l h ARG 71 CO 0.02 0.92 0.02 0.37 -1.07 0.00 0.00 179.97 180.24 3d9l h GLN 72 N 0.66 0.26 -0.51 0.04 5.75 -1.06 -2.20 115.11 118.05 3d9l h GLN 72 Ca 0.09 -0.07 0.02 0.00 -0.15 0.00 0.00 58.65 58.54 3d9l h GLN 72 Cb 0.74 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.23 3d9l h GLN 72 CO 0.06 0.44 0.32 1.03 -2.65 0.00 0.00 178.83 178.02 3d9l h SER 73 N 0.04 0.52 -0.94 -0.69 0.87 -1.06 0.54 113.55 112.83 3d9l h SER 73 Ca 0.05 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 3d9l h SER 73 Cb 0.30 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.10 3d9l h SER 73 CO 0.00 0.37 0.58 0.03 -0.53 0.00 0.00 176.83 177.28 3d9l h ARG 74 N 0.63 1.28 -0.13 2.24 3.08 -1.19 0.16 114.38 120.45 3d9l h ARG 74 Ca 0.20 -0.11 -0.19 0.00 0.07 0.00 0.00 59.98 59.95 3d9l h ARG 74 Cb -0.01 -0.27 0.01 0.00 0.08 0.00 0.00 29.97 29.78 3d9l h ARG 74 CO -0.08 0.89 -0.65 1.25 -1.07 0.00 0.00 179.97 180.31 3d9l h HIS 75 N 1.30 0.90 -0.07 3.04 2.76 -0.79 0.15 115.15 122.44 3d9l h HIS 75 Ca 0.34 -0.40 -0.23 0.00 -2.20 0.00 0.00 60.37 57.88 3d9l h HIS 75 Cb -0.07 -0.14 0.02 0.00 1.55 0.00 0.00 27.41 28.77 3d9l h HIS 75 CO 0.00 1.21 -0.86 0.37 -1.30 0.00 0.00 177.93 177.35 3d9l h GLN 76 N 0.34 0.71 0.00 5.26 4.15 0.26 -3.36 115.11 122.46 3d9l h GLN 76 Ca -0.04 -0.67 0.00 0.00 0.77 0.00 0.00 58.65 58.71 3d9l h GLN 76 Cb 1.29 0.17 0.00 0.00 0.21 0.00 0.00 27.48 29.14 3d9l h GLN 76 CO 0.13 1.27 -0.86 1.19 -1.93 0.00 0.00 178.83 178.63 3d9l n PHE 77 N -3.95 0.00 0.00 3.99 3.01 0.55 -5.07 117.46 115.99 3d9l n PHE 77 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 3d9l n PHE 77 Cb 0.79 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 40.17 3d9l n PHE 77 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3d9l n GLY 78 N 1.47 2.16 0.24 1.37 0.00 0.02 -4.41 105.19 106.04 3d9l n GLY 78 Ca 0.01 -1.61 -0.02 0.00 0.00 0.00 0.00 46.02 44.39 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 0.59 -0.79 1.61 4.20 -1.83 -0.41 115.11 118.48 3d9l h GLN 79 Ca 0.00 -0.04 0.11 0.00 0.06 0.00 0.00 58.65 58.79 3d9l h GLN 79 Cb 0.00 -0.13 -0.06 0.00 0.30 0.00 0.00 27.48 27.59 3d9l h GLN 79 CO 0.00 0.39 0.52 0.93 -0.67 0.00 0.00 178.83 179.99 3d9l h GLU 80 N 0.60 0.63 0.00 1.46 5.08 -1.90 -3.24 114.58 117.20 3d9l h GLU 80 Ca 0.27 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3d9l h GLU 80 Cb 0.18 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3d9l h GLU 80 CO -0.18 0.41 -1.23 1.63 -1.00 0.00 0.00 179.01 178.65 3d9l n LYS 81 N -4.51 1.14 -1.68 2.33 4.76 -0.52 -4.96 118.16 114.73 3d9l n LYS 81 Ca 0.14 -0.07 -0.48 0.00 -2.87 0.00 0.00 58.31 55.03 3d9l n LYS 81 Cb 0.39 -1.32 -0.05 0.00 -1.84 0.00 0.00 35.03 32.21 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 -1.71 3.32 0.05 4.39 2.03 -0.28 -4.90 116.55 119.45 3d9l n ASP 82 Ca 0.00 1.01 0.12 0.00 0.52 0.00 0.00 54.79 56.44 3d9l n ASP 82 Cb 0.33 -1.38 0.15 0.00 -0.72 0.00 0.00 41.12 39.50 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 4.63 0.28 0.02 5.18 0.24 -1.26 -4.52 118.33 122.91 3d9l n VAL 83 Ca 0.21 -0.24 -0.11 0.00 -2.04 0.00 0.00 64.34 62.16 3d9l n VAL 83 Cb 0.29 -0.03 -0.08 0.00 -1.47 0.00 0.00 33.84 32.55 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 -0.14 -0.15 6.34 0.04 -1.94 -2.92 116.94 118.17 3d9l h PHE 84 Ca 0.00 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.78 3d9l h PHE 84 Cb 0.72 0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.90 3d9l h PHE 84 CO 0.00 0.36 0.07 0.00 -0.60 0.00 0.00 178.31 178.14 3d9l h ALA 85 N -0.22 0.17 -0.79 2.45 0.00 -1.89 0.28 119.26 119.26 3d9l h ALA 85 Ca -0.02 0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.99 3d9l h ALA 85 Cb 0.56 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 3d9l h ALA 85 CO 0.02 -0.37 0.44 -1.35 0.00 0.00 0.00 179.25 178.00 3d9l h PRO 86 N 0.15 0.73 -0.32 0.00 0.11 -1.79 -0.87 132.00 130.01 3d9l h PRO 86 Ca 0.06 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.03 3d9l h PRO 86 Cb 0.02 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 3d9l h PRO 86 CO -0.05 0.48 -0.18 -0.09 -0.21 0.00 0.00 178.00 177.95 3d9l h ARG 87 N 0.75 0.69 -0.08 1.05 9.65 -1.28 -2.73 114.38 122.43 3d9l h ARG 87 Ca 0.38 -0.31 0.02 0.00 -1.10 0.00 0.00 59.98 58.97 3d9l h ARG 87 Cb 0.35 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 28.91 3d9l h ARG 87 CO -0.25 0.91 0.08 0.74 2.80 0.00 0.00 179.97 184.26 3d9l h PHE 88 N 0.45 0.00 -0.12 2.20 0.04 -0.77 -3.00 116.94 115.73 3d9l h PHE 88 Ca 0.07 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.75 3d9l h PHE 88 Cb 0.72 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.86 3d9l h PHE 88 CO 0.06 0.00 -0.34 0.77 -0.60 0.00 0.00 178.31 178.20 3d9l h SER 89 N 0.00 0.24 -0.54 2.17 0.02 -0.83 -2.82 113.55 111.79 3d9l h SER 89 Ca 0.04 -0.09 0.11 0.00 -0.84 0.00 0.00 61.79 61.01 3d9l h SER 89 Cb 0.20 -0.07 -0.11 0.00 0.14 0.00 0.00 62.40 62.57 3d9l h SER 89 CO -0.00 0.57 -0.19 0.78 -1.14 0.00 0.00 176.83 176.85 3d9l h ASN 90 N 0.21 -0.68 -0.37 3.07 4.21 -1.57 -3.01 115.58 117.43 3d9l h ASN 90 Ca 0.03 0.18 0.00 0.00 1.21 0.00 0.00 56.30 57.72 3d9l h ASN 90 Cb 0.70 0.40 0.00 0.00 -1.12 0.00 0.00 38.32 38.30 3d9l h ASN 90 CO 0.05 -0.23 0.00 0.59 -1.29 0.00 0.00 177.43 176.56 3d9l n ASN 91 N -5.41 2.99 0.03 5.81 3.02 -1.22 -4.77 115.26 115.71 3d9l n ASN 91 Ca 0.05 -1.99 0.07 0.00 -0.03 0.00 0.00 54.58 52.69 3d9l n ASN 91 Cb 0.31 -0.25 0.50 0.00 -0.61 0.00 0.00 39.78 39.74 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 2.22 1.01 -0.03 2.41 2.10 -1.35 -0.75 117.51 123.12 3d9l h ILE 92 Ca 0.00 -0.13 -0.00 0.00 1.08 0.00 0.00 64.86 65.81 3d9l h ILE 92 Cb 0.75 0.60 -0.00 0.00 -1.09 0.00 0.00 36.82 37.07 3d9l h ILE 92 CO 0.00 0.07 0.01 0.40 -1.08 0.00 0.00 178.15 177.55 3d9l h ILE 93 N 0.38 1.13 -0.98 2.19 1.08 -1.86 -1.02 117.51 118.43 3d9l h ILE 93 Ca 0.16 -0.38 0.02 0.00 -0.39 0.00 0.00 64.86 64.26 3d9l h ILE 93 Cb 0.15 1.34 -0.05 0.00 -3.07 0.00 0.00 36.82 35.19 3d9l h ILE 93 CO -0.04 0.10 0.65 0.77 -0.69 0.00 0.00 178.15 178.95 3d9l h SER 94 N -0.11 1.12 -0.76 1.72 4.64 -1.62 -1.75 113.55 116.79 3d9l h SER 94 Ca 0.01 -0.03 0.03 0.00 -0.47 0.00 0.00 61.79 61.34 3d9l h SER 94 Cb 0.16 -0.28 -0.05 0.00 -0.31 0.00 0.00 62.40 61.92 3d9l h SER 94 CO -0.00 0.80 0.48 0.74 -0.87 0.00 0.00 176.83 177.98 3d9l h THR 95 N 1.32 1.10 -0.01 2.95 2.02 -0.78 -1.91 112.91 117.61 3d9l h THR 95 Ca 0.37 -0.32 -0.13 0.00 0.77 0.00 0.00 66.41 67.10 3d9l h THR 95 Cb -0.13 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.36 3d9l h THR 95 CO -0.09 0.17 -0.60 -0.26 0.37 0.00 0.00 175.52 175.11 3d9l h PHE 96 N 0.93 0.04 -0.94 3.16 -1.00 -0.84 -0.88 116.94 117.41 3d9l h PHE 96 Ca 0.31 -0.01 0.06 0.00 2.81 0.00 0.00 57.97 61.13 3d9l h PHE 96 Cb 0.03 -0.01 -0.06 0.00 3.61 0.00 0.00 35.95 39.52 3d9l h PHE 96 CO -0.04 0.62 0.61 1.96 -1.61 0.00 0.00 178.31 179.86 3d9l h GLN 97 N 0.02 1.06 -0.07 1.51 1.08 -0.55 -1.57 115.11 116.59 3d9l h GLN 97 Ca -0.01 -0.06 -0.19 0.00 -1.45 0.00 0.00 58.65 56.94 3d9l h GLN 97 Cb 1.07 -0.24 0.01 0.00 -0.05 0.00 0.00 27.48 28.27 3d9l h GLN 97 CO 0.08 0.70 -0.71 -0.91 -0.95 0.00 0.00 178.83 177.04 3d9l h ASN 98 N 1.09 0.74 -0.77 1.46 2.35 -1.09 -3.27 115.58 116.10 3d9l h ASN 98 Ca 0.40 -0.69 0.09 0.00 -0.55 0.00 0.00 56.30 55.55 3d9l h ASN 98 Cb 0.17 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.27 3d9l h ASN 98 CO -0.15 1.32 0.51 -0.07 -1.65 0.00 0.00 177.43 177.38 3d9l h LEU 99 N 0.23 0.65 0.00 1.61 3.38 -0.74 -2.09 115.31 118.35 3d9l h LEU 99 Ca -0.07 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3d9l h LEU 99 Cb 1.37 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3d9l h LEU 99 CO 0.14 0.40 0.00 -1.22 0.09 0.00 0.00 178.44 177.85 3d9l n TYR 100 N -4.50 0.00 -1.29 1.13 0.53 -0.63 -3.39 117.16 109.01 3d9l n TYR 100 Ca 0.12 0.00 -0.23 0.00 -1.02 0.00 0.00 57.90 56.77 3d9l n TYR 100 Cb 0.30 -0.02 -0.10 0.00 -1.03 0.00 0.00 39.34 38.49 3d9l n TYR 100 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 3d9l n ARG 101 N -1.02 2.66 -4.57 -0.72 1.74 -0.79 -4.91 116.66 109.05 3d9l n ARG 101 Ca 0.22 -1.83 -0.27 0.00 -0.77 0.00 0.00 57.85 55.21 3d9l n ARG 101 Cb 0.12 -2.23 -0.11 0.00 -1.02 0.00 0.00 32.46 29.21 3d9l n ARG 101 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3d9l n PRO 103 N -0.87 2.13 -0.32 0.00 -0.02 -1.26 -4.89 135.00 129.78 3d9l n PRO 103 Ca -0.05 0.75 0.15 0.00 -2.02 0.00 0.00 63.50 62.33 3d9l n PRO 103 Cb 0.65 -2.33 0.39 0.00 -0.02 0.00 0.00 33.50 32.20 3d9l n PRO 103 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3d9l h GLY 104 N 2.57 1.44 1.84 -1.23 0.00 -1.99 0.15 103.07 105.86 3d9l h GLY 104 Ca -0.46 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.57 3d9l h GLY 104 CO 0.63 -0.04 0.06 1.22 0.00 0.00 0.00 176.54 178.41 3d9l n ASP 105 N -4.66 0.54 -0.14 0.19 9.92 -1.26 -2.56 116.55 118.57 3d9l n ASP 105 Ca 0.22 0.73 0.08 0.00 -0.53 0.00 0.00 54.79 55.30 3d9l n ASP 105 Cb 0.63 -0.78 -0.07 0.00 -0.64 0.00 0.00 41.12 40.26 3d9l n ASP 105 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3d9l n ASP 106 N -2.24 1.15 -0.02 -2.24 9.92 0.53 -4.41 116.55 119.23 3d9l n ASP 106 Ca -0.01 -1.07 -0.02 0.00 -0.53 0.00 0.00 54.79 53.15 3d9l n ASP 106 Cb 0.09 0.82 0.23 0.00 -0.64 0.00 0.00 41.12 41.62 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 0.70 0.58 0.00 -1.24 3.11 -1.53 -2.55 116.57 115.64 3d9l h LYS 107 Ca 0.00 -0.16 -0.02 0.00 -2.81 0.00 0.00 60.65 57.66 3d9l h LYS 107 Cb 0.48 -0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 31.65 3d9l h LYS 107 CO 0.00 0.67 -0.10 0.66 -2.81 0.00 0.00 179.45 177.87 3d9l h SER 108 N 0.54 0.00 -0.13 4.20 4.64 -1.77 -2.00 113.55 119.03 3d9l h SER 108 Ca 0.10 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.23 3d9l h SER 108 Cb 0.47 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.57 3d9l h SER 108 CO 0.03 0.10 -0.69 0.11 -0.87 0.00 0.00 176.83 175.50 3d9l h LYS 109 N 0.00 0.69 0.00 4.77 1.57 -1.73 -1.59 116.57 120.28 3d9l h LYS 109 Ca -0.00 -0.57 0.01 0.00 -1.87 0.00 0.00 60.65 58.21 3d9l h LYS 109 Cb 0.18 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 3d9l h LYS 109 CO 0.01 1.19 -0.04 0.82 -0.57 0.00 0.00 179.45 180.86 3d9l h ILE 110 N 0.38 0.89 -0.62 1.86 2.04 -1.37 -2.33 117.51 118.36 3d9l h ILE 110 Ca -0.05 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 3d9l h ILE 110 Cb 1.33 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 3d9l h ILE 110 CO 0.14 0.00 0.27 0.58 0.00 0.00 0.00 178.15 179.14 3d9l h VAL 111 N -0.07 1.21 -0.49 1.67 2.07 -1.38 -1.63 116.25 117.63 3d9l h VAL 111 Ca 0.02 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 3d9l h VAL 111 Cb 0.09 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 3d9l h VAL 111 CO -0.04 0.26 0.31 -0.09 0.02 0.00 0.00 177.57 178.02 3d9l h ARG 112 N 0.88 0.67 -0.35 1.57 2.43 -1.12 -0.20 114.38 118.26 3d9l h ARG 112 Ca 0.21 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 3d9l h ARG 112 Cb 0.13 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3d9l h ARG 112 CO -0.02 0.48 0.17 0.28 -1.51 0.00 0.00 179.97 179.36 3d9l h VAL 113 N 0.66 1.16 -0.42 0.20 2.07 -0.98 -1.43 116.25 117.52 3d9l h VAL 113 Ca 0.18 -0.47 0.07 0.00 0.82 0.00 0.00 66.70 67.30 3d9l h VAL 113 Cb -0.03 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.52 3d9l h VAL 113 CO -0.03 0.17 0.09 -0.07 0.02 0.00 0.00 177.57 177.74 3d9l h LEU 114 N 0.42 0.01 -0.65 2.57 3.38 -1.06 0.16 115.31 120.14 3d9l h LEU 114 Ca 0.12 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.24 3d9l h LEU 114 Cb 0.12 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 3d9l h LEU 114 CO -0.01 0.04 0.32 0.78 0.09 0.00 0.00 178.44 179.66 3d9l h ASN 115 N 0.22 0.43 -0.40 -0.43 2.35 -0.87 -1.04 115.58 115.84 3d9l h ASN 115 Ca 0.21 0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.93 3d9l h ASN 115 Cb 0.25 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 3d9l h ASN 115 CO -0.27 0.26 -0.06 -0.07 -1.65 0.00 0.00 177.43 175.65 3d9l h LEU 116 N 0.57 0.74 -0.67 1.61 3.38 -0.60 -1.32 115.31 119.03 3d9l h LEU 116 Ca 0.31 -0.34 0.08 0.00 0.09 0.00 0.00 57.88 58.01 3d9l h LEU 116 Cb 0.28 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 3d9l h LEU 116 CO -0.23 0.91 0.34 -0.50 0.09 0.00 0.00 178.44 179.05 3d9l h TRP 117 N 0.56 0.62 -0.15 1.13 4.06 -0.49 0.15 115.95 121.82 3d9l h TRP 117 Ca 0.11 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 61.07 3d9l h TRP 117 Cb 0.57 -0.18 -0.01 0.00 -1.00 0.00 0.00 29.16 28.54 3d9l h TRP 117 CO 0.05 0.25 0.04 0.37 -3.56 0.00 0.00 178.44 175.59 3d9l h GLN 118 N 0.61 0.25 -0.81 0.49 4.15 -1.05 0.12 115.11 118.86 3d9l h GLN 118 Ca 0.32 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.67 3d9l h GLN 118 Cb 0.28 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.90 3d9l h GLN 118 CO -0.23 0.39 0.49 -0.22 -1.93 0.00 0.00 178.83 177.33 3d9l h LYS 119 N 0.06 1.11 -0.15 1.69 3.11 -0.95 -2.38 116.57 119.06 3d9l h LYS 119 Ca 0.05 -0.10 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 3d9l h LYS 119 Cb 0.26 -0.23 0.00 0.00 -1.00 0.00 0.00 32.23 31.26 3d9l h LYS 119 CO 0.00 0.79 0.00 0.09 -2.81 0.00 0.00 179.45 177.52 3d9l n ASN 120 N -4.45 1.53 -3.37 4.20 3.02 0.01 -4.92 115.26 111.28 3d9l n ASN 120 Ca 0.08 -1.67 -0.24 0.00 -0.03 0.00 0.00 54.58 52.71 3d9l n ASN 120 Cb 0.06 -0.09 0.01 0.00 -0.61 0.00 0.00 39.78 39.15 3d9l n ASN 120 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3d9l n ASN 121 N 0.23 -4.63 -0.30 6.41 3.02 -0.47 -4.87 115.26 114.65 3d9l n ASN 121 Ca 0.16 -0.43 -0.01 0.00 -0.03 0.00 0.00 54.58 54.26 3d9l n ASN 121 Cb 0.31 -3.77 0.16 0.00 -0.61 0.00 0.00 39.78 35.87 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 -1.32 1.23 -3.99 2.41 2.07 -1.09 -3.42 116.25 112.15 3d9l h VAL 122 Ca -0.49 -0.47 -0.47 0.00 0.82 0.00 0.00 66.70 66.10 3d9l h VAL 122 Cb 1.33 -0.02 -0.23 0.00 -1.52 0.00 0.00 31.29 30.85 3d9l h VAL 122 CO 0.57 0.23 -0.80 -0.36 0.02 0.00 0.00 177.57 177.24 3d9l s PHE 123 N -5.92 1.39 0.69 1.57 0.08 -1.25 -4.94 117.98 109.59 3d9l s PHE 123 Ca -0.12 -0.41 -0.14 0.00 0.12 0.00 0.00 56.93 56.38 3d9l s PHE 123 Cb 0.18 -0.79 0.02 0.00 -0.57 0.00 0.00 43.02 41.85 3d9l s PHE 123 CO 0.81 0.08 1.11 0.21 -0.10 0.00 0.00 175.22 177.33 3d9l s LYS 124 N -1.56 2.62 0.56 0.44 2.20 -1.26 -4.70 119.74 118.04 3d9l s LYS 124 Ca 0.02 1.34 0.37 0.00 -0.36 0.00 0.00 55.97 57.34 3d9l s LYS 124 Cb -0.09 -1.93 1.81 0.00 -1.51 0.00 0.00 37.83 36.10 3d9l s LYS 124 CO 0.02 -1.38 2.11 1.03 -0.36 0.00 0.00 175.35 176.77 3d9l h SER 125 N -0.31 0.00 0.96 1.43 0.87 -1.97 0.10 113.55 114.62 3d9l h SER 125 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 3d9l h SER 125 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 3d9l h SER 125 CO 0.53 0.00 0.00 1.05 -0.53 0.00 0.00 176.83 177.88 3d9l h GLU 126 N 0.00 0.00 0.00 2.24 4.11 -2.01 -1.79 114.58 117.13 3d9l h GLU 126 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.37 3d9l h GLU 126 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3d9l h GLU 126 CO 0.00 0.00 -0.71 -0.89 0.07 0.00 0.00 179.01 177.48 3d9l n ILE 127 N -3.06 1.45 -0.17 -1.06 2.08 -0.01 -4.53 119.36 114.05 3d9l n ILE 127 Ca 0.00 0.15 -0.07 0.00 0.56 0.00 0.00 62.75 63.40 3d9l n ILE 127 Cb 0.29 -2.30 0.02 0.00 -0.75 0.00 0.00 39.64 36.89 3d9l n ILE 127 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 3d9l h ILE 128 N -1.00 1.14 -0.29 1.39 1.08 -1.47 -3.07 117.51 115.29 3d9l h ILE 128 Ca -0.09 -0.29 -0.00 0.00 -0.39 0.00 0.00 64.86 64.09 3d9l h ILE 128 Cb 0.71 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 34.88 3d9l h ILE 128 CO -0.05 0.14 0.17 -0.61 -0.69 0.00 0.00 178.15 177.11 3d9l h GLN 129 N 0.68 0.40 -0.89 2.37 5.75 -1.59 0.10 115.11 121.93 3d9l h GLN 129 Ca 0.18 -0.04 0.11 0.00 -0.15 0.00 0.00 58.65 58.76 3d9l h GLN 129 Cb -0.05 -0.08 -0.08 0.00 1.07 0.00 0.00 27.48 28.34 3d9l h GLN 129 CO -0.04 0.33 0.52 -1.35 -2.65 0.00 0.00 178.83 175.64 3d9l h PRO 130 N 0.37 0.81 -0.65 -2.39 0.11 -1.78 0.68 132.00 129.14 3d9l h PRO 130 Ca 0.10 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.13 3d9l h PRO 130 Cb 0.03 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 30.93 3d9l h PRO 130 CO -0.02 0.53 0.26 -0.07 -0.21 0.00 0.00 178.00 178.49 3d9l h LEU 131 N 0.83 0.90 -0.27 2.35 3.38 -1.24 0.91 115.31 122.17 3d9l h LEU 131 Ca 0.45 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.21 3d9l h LEU 131 Cb 0.47 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3d9l h LEU 131 CO -0.28 0.83 0.04 -0.07 0.09 0.00 0.00 178.44 179.06 3d9l h LEU 132 N 0.92 0.43 -1.02 1.67 3.38 0.10 -2.25 115.31 118.53 3d9l h LEU 132 Ca 0.22 -0.26 0.19 0.00 0.09 0.00 0.00 57.88 58.12 3d9l h LEU 132 Cb 0.21 -0.11 -0.11 0.00 0.09 0.00 0.00 40.66 40.74 3d9l h LEU 132 CO -0.02 0.58 0.61 0.44 0.09 0.00 0.00 178.44 180.14 3d9l h ASP 133 N 0.26 0.78 -0.55 -0.43 3.32 0.62 -2.24 116.42 118.18 3d9l h ASP 133 Ca 0.08 0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.16 3d9l h ASP 133 Cb 0.33 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 3d9l h ASP 133 CO 0.01 0.28 0.08 -0.03 -1.72 0.00 0.00 179.24 177.85 3d9l h MET 134 N 0.76 0.92 0.02 3.56 4.05 -0.25 -1.83 114.93 122.16 3d9l h MET 134 Ca 0.58 -0.25 -0.00 0.00 -0.28 0.00 0.00 59.70 59.74 3d9l h MET 134 Cb 0.91 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.60 3d9l h MET 134 CO -0.37 0.89 -0.01 0.00 0.23 0.00 0.00 176.91 177.65 3d9l h ALA 135 N 0.99 -0.02 -0.82 0.39 0.00 -1.05 -2.94 119.26 115.80 3d9l h ALA 135 Ca 0.17 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.18 3d9l h ALA 135 Cb 0.42 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.13 3d9l h ALA 135 CO 0.01 -0.47 0.39 0.00 0.00 0.00 0.00 179.25 179.18 3d9l h ALA 136 N 0.88 1.22 0.00 0.00 0.00 -1.29 -2.27 119.26 117.79 3d9l h ALA 136 Ca -0.00 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3d9l h ALA 136 Cb 0.10 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3d9l h ALA 136 CO 0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 179.25 179.02 3d9l h ALA 137 N 1.57 1.05 -0.05 0.00 0.00 -1.16 -3.27 119.26 117.40 3d9l h ALA 137 Ca 0.45 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 55.10 3d9l h ALA 137 Cb 0.68 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.47 3d9l h ALA 137 CO -0.39 0.11 -0.72 -0.07 0.00 0.00 0.00 179.25 178.18 3d9l h LEU 138 N 0.00 0.71 -1.54 0.00 3.38 -1.28 -3.20 115.31 113.38 3d9l h LEU 138 Ca -0.00 -0.71 -0.05 0.00 0.09 0.00 0.00 57.88 57.21 3d9l h LEU 138 Cb 0.50 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3d9l h LEU 138 CO 0.01 1.32 -0.24 -0.33 0.09 0.00 0.00 178.44 179.29 3d9l h GLU 139 N 0.17 0.00 -0.73 1.13 4.39 -1.64 -2.64 114.58 115.26 3d9l h GLU 139 Ca -0.08 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.56 3d9l h GLU 139 Cb 1.38 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.00 3d9l h GLU 139 CO 0.14 0.24 0.20 0.45 -1.16 0.00 0.00 179.01 178.88 3d9l h HIS 140 N 0.00 1.20 -0.00 4.33 3.86 -1.65 -3.53 115.15 119.35 3d9l h HIS 140 Ca -0.00 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.07 3d9l h HIS 140 Cb 0.48 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.61 3d9l h HIS 140 CO 0.00 0.96 0.00 0.72 0.86 0.00 0.00 177.93 180.47