#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pbx s LEU 2 N 0.00 4.30 0.81 2.46 1.43 -1.26 -5.05 118.68 121.38 1pbx s LEU 2 Ca 0.00 1.90 -0.06 0.00 -1.03 0.00 0.00 54.13 54.95 1pbx s LEU 2 Cb 0.00 -3.56 0.16 0.00 0.03 0.00 0.00 46.19 42.81 1pbx s LEU 2 CO 0.00 -0.58 1.11 -0.94 0.23 0.00 0.00 176.35 176.17 1pbx s SER 3 N 1.45 3.88 0.18 2.29 1.04 -1.26 -4.91 113.70 116.37 1pbx s SER 3 Ca 0.58 -0.20 -0.07 0.00 0.48 0.00 0.00 55.95 56.73 1pbx s SER 3 Cb -0.27 -0.03 0.09 0.00 0.10 0.00 0.00 66.02 65.91 1pbx s SER 3 CO 0.24 -2.19 1.57 0.44 0.98 0.00 0.00 173.24 174.28 1pbx h ASP 4 N -0.92 0.89 1.24 7.02 3.32 -2.01 -2.35 116.42 123.61 1pbx h ASP 4 Ca -0.38 -0.35 -0.04 0.00 0.02 0.00 0.00 57.03 56.28 1pbx h ASP 4 Cb 1.25 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 1pbx h ASP 4 CO 0.38 1.10 -0.19 0.07 -1.72 0.00 0.00 179.24 178.88 1pbx h LYS 5 N 0.74 0.00 0.24 3.56 2.10 -2.00 -2.02 116.57 119.18 1pbx h LYS 5 Ca 0.09 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.73 1pbx h LYS 5 Cb 0.81 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.15 1pbx h LYS 5 CO 0.07 0.19 -0.11 -0.44 -2.00 0.00 0.00 179.45 177.15 1pbx h ASP 6 N 0.00 -0.27 -0.86 7.07 3.32 -1.83 -1.86 116.42 121.99 1pbx h ASP 6 Ca -0.00 -0.05 0.12 0.00 0.02 0.00 0.00 57.03 57.12 1pbx h ASP 6 Cb 0.86 0.07 -0.08 0.00 0.22 0.00 0.00 39.33 40.39 1pbx h ASP 6 CO 0.02 -0.12 0.48 0.11 -1.72 0.00 0.00 179.24 178.01 1pbx h LYS 7 N -0.40 0.72 -0.01 3.56 1.57 -1.32 0.70 116.57 121.40 1pbx h LYS 7 Ca -0.03 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1pbx h LYS 7 Cb 0.30 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 1pbx h LYS 7 CO 0.05 0.48 0.00 0.00 -0.57 0.00 0.00 179.45 179.42 1pbx h ALA 8 N 1.51 0.01 0.35 3.86 0.00 -1.34 0.15 119.26 123.81 1pbx h ALA 8 Ca 0.44 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 1pbx h ALA 8 Cb 0.51 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1pbx h ALA 8 CO -0.30 -0.46 -0.41 0.00 0.00 0.00 0.00 179.25 178.08 1pbx h ALA 9 N 0.93 -0.87 -0.96 0.00 0.00 -0.75 0.53 119.26 118.14 1pbx h ALA 9 Ca 0.00 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 54.92 1pbx h ALA 9 Cb 0.07 0.62 -0.09 0.00 0.00 0.00 0.00 17.79 18.38 1pbx h ALA 9 CO -0.00 -1.03 0.58 0.28 0.00 0.00 0.00 179.25 179.08 1pbx h VAL 10 N -0.80 0.83 -0.14 0.00 2.07 -0.85 -1.16 116.25 116.20 1pbx h VAL 10 Ca -0.03 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 1pbx h VAL 10 Cb 0.73 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1pbx h VAL 10 CO -0.10 0.16 -0.08 0.03 0.02 0.00 0.00 177.57 177.60 1pbx h ARG 11 N 0.85 0.29 -0.94 1.57 3.08 0.28 0.41 114.38 119.93 1pbx h ARG 11 Ca 0.51 -0.13 0.07 0.00 0.07 0.00 0.00 59.98 60.49 1pbx h ARG 11 Cb 0.61 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.60 1pbx h ARG 11 CO -0.31 0.63 0.61 0.00 -1.07 0.00 0.00 179.97 179.84 1pbx h ALA 12 N 0.65 1.48 -0.09 0.04 0.00 0.38 -0.83 119.26 120.90 1pbx h ALA 12 Ca 0.03 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1pbx h ALA 12 Cb 0.55 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1pbx h ALA 12 CO 0.02 0.38 -0.29 1.25 0.00 0.00 0.00 179.25 180.61 1pbx h LEU 13 N 1.08 0.41 -2.16 0.00 5.85 -0.99 -2.73 115.31 116.76 1pbx h LEU 13 Ca 0.41 -0.61 0.06 0.00 0.84 0.00 0.00 57.88 58.57 1pbx h LEU 13 Cb 0.20 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1pbx h LEU 13 CO -0.16 0.95 0.18 -0.25 -0.34 0.00 0.00 178.44 178.82 1pbx h TRP 14 N -0.11 0.00 -0.25 1.25 2.91 0.09 0.97 115.95 120.81 1pbx h TRP 14 Ca -0.01 0.00 -0.11 0.00 1.13 0.00 0.00 58.89 59.90 1pbx h TRP 14 Cb 0.92 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.56 1pbx h TRP 14 CO 0.12 0.00 -0.31 1.03 -1.03 0.00 0.00 178.44 178.25 1pbx h SER 15 N 0.00 0.53 0.30 2.65 0.87 -0.90 -1.52 113.55 115.47 1pbx h SER 15 Ca 0.09 -0.20 -0.33 0.00 -1.23 0.00 0.00 61.79 60.12 1pbx h SER 15 Cb 0.46 -0.15 0.02 0.00 -0.44 0.00 0.00 62.40 62.29 1pbx h SER 15 CO -0.00 0.81 -1.56 0.11 -0.53 0.00 0.00 176.83 175.67 1pbx h LYS 16 N 0.44 0.43 0.18 2.24 1.57 -0.56 -3.40 116.57 117.48 1pbx h LYS 16 Ca 0.05 -0.74 -0.24 0.00 -1.87 0.00 0.00 60.65 57.85 1pbx h LYS 16 Cb 0.76 0.28 0.03 0.00 0.08 0.00 0.00 32.23 33.37 1pbx h LYS 16 CO 0.06 1.34 -1.09 0.82 -0.57 0.00 0.00 179.45 180.01 1pbx h ILE 17 N 0.12 1.39 -0.99 1.86 5.03 -1.33 -3.40 117.51 120.18 1pbx h ILE 17 Ca -0.27 -2.58 0.32 0.00 -0.12 0.00 0.00 64.86 62.21 1pbx h ILE 17 Cb 2.11 3.11 -0.18 0.00 -3.03 0.00 0.00 36.82 38.83 1pbx h ILE 17 CO 0.22 0.75 0.21 1.23 -0.68 0.00 0.00 178.15 179.88 1pbx h GLY 18 N -0.15 1.60 -0.36 5.37 0.00 -1.48 -2.43 103.07 105.62 1pbx h GLY 18 Ca -0.20 0.05 0.27 0.00 0.00 0.00 0.00 47.33 47.45 1pbx h GLY 18 CO 0.19 -0.61 0.47 0.07 0.00 0.00 0.00 176.54 176.66 1pbx h LYS 19 N 0.01 0.36 -0.67 4.80 2.10 -1.84 -2.40 116.57 118.93 1pbx h LYS 19 Ca 0.69 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 59.31 1pbx h LYS 19 Cb 1.58 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.82 1pbx h LYS 19 CO -0.87 0.24 0.00 0.43 -2.00 0.00 0.00 179.45 177.25 1pbx n SER 20 N -5.05 4.32 -0.36 7.07 7.64 -0.92 -4.69 113.62 121.64 1pbx n SER 20 Ca 0.27 -2.61 0.06 0.00 1.01 0.00 0.00 58.87 57.60 1pbx n SER 20 Cb 0.80 -0.61 0.23 0.00 -1.01 0.00 0.00 64.21 63.62 1pbx n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pbx h ALA 21 N 3.55 1.50 -0.34 -0.43 0.00 -1.54 -1.55 119.26 120.45 1pbx h ALA 21 Ca 0.00 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1pbx h ALA 21 Cb 1.50 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1pbx h ALA 21 CO 0.32 0.28 -0.15 -0.44 0.00 0.00 0.00 179.25 179.26 1pbx h ASP 22 N 1.04 0.73 -0.58 0.00 3.32 -1.85 0.43 116.42 119.51 1pbx h ASP 22 Ca 0.48 -0.40 0.01 0.00 0.02 0.00 0.00 57.03 57.13 1pbx h ASP 22 Cb 0.40 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 1pbx h ASP 22 CO -0.23 0.97 0.39 0.00 -1.72 0.00 0.00 179.24 178.64 1pbx h ALA 23 N 0.79 0.74 -0.16 3.45 0.00 -1.84 -2.37 119.26 119.87 1pbx h ALA 23 Ca 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1pbx h ALA 23 Cb 0.68 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1pbx h ALA 23 CO 0.05 0.18 0.05 0.82 0.00 0.00 0.00 179.25 180.35 1pbx h ILE 24 N 0.79 1.18 -0.37 0.00 2.04 -1.19 -1.96 117.51 118.00 1pbx h ILE 24 Ca 0.21 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 1pbx h ILE 24 Cb -0.09 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 1pbx h ILE 24 CO -0.05 0.17 0.15 1.23 0.00 0.00 0.00 178.15 179.66 1pbx h GLY 25 N 0.08 0.59 0.93 5.37 0.00 -0.81 0.10 103.07 109.32 1pbx h GLY 25 Ca 0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 1pbx h GLY 25 CO -0.00 0.30 -0.09 -0.57 0.00 0.00 0.00 176.54 176.18 1pbx h ASN 26 N 0.45 -0.21 0.20 0.19 -0.73 -1.43 -0.99 115.58 113.06 1pbx h ASN 26 Ca 0.12 -0.05 -0.01 0.00 1.87 0.00 0.00 56.30 58.23 1pbx h ASN 26 Cb 0.18 0.05 -0.00 0.00 0.27 0.00 0.00 38.32 38.82 1pbx h ASN 26 CO -0.01 -0.08 -0.12 -0.78 -0.37 0.00 0.00 177.43 176.06 1pbx h ASP 27 N -0.32 -0.30 -0.04 1.15 3.58 -1.35 -0.46 116.42 118.67 1pbx h ASP 27 Ca -0.03 0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.45 1pbx h ASP 27 Cb 0.25 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 1pbx h ASP 27 CO 0.04 -0.20 -0.00 0.00 -2.88 0.00 0.00 179.24 176.20 1pbx h ALA 28 N 0.48 0.03 -0.28 -0.78 0.00 -0.80 -1.53 119.26 116.39 1pbx h ALA 28 Ca -0.02 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1pbx h ALA 28 Cb 0.26 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1pbx h ALA 28 CO 0.02 -0.49 -0.15 -0.07 0.00 0.00 0.00 179.25 178.56 1pbx h LEU 29 N 0.01 0.47 -0.23 0.00 3.38 -1.07 -2.23 115.31 115.65 1pbx h LEU 29 Ca 0.02 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 1pbx h LEU 29 Cb 0.02 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1pbx h LEU 29 CO -0.03 0.65 -0.21 0.28 0.09 0.00 0.00 178.44 179.22 1pbx h SER 30 N 0.44 0.58 -0.86 -0.43 0.02 -0.83 -2.83 113.55 109.63 1pbx h SER 30 Ca 0.08 -0.47 0.08 0.00 -0.84 0.00 0.00 61.79 60.64 1pbx h SER 30 Cb 0.53 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 62.85 1pbx h SER 30 CO 0.03 0.92 0.56 0.03 -1.14 0.00 0.00 176.83 177.24 1pbx h ARG 31 N 0.23 0.88 -0.22 3.45 3.08 -1.17 -1.89 114.38 118.74 1pbx h ARG 31 Ca 0.04 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1pbx h ARG 31 Cb 0.76 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1pbx h ARG 31 CO 0.05 0.58 0.09 1.98 -1.07 0.00 0.00 179.97 181.61 1pbx h MET 32 N 0.90 0.33 -0.03 0.04 4.05 -1.20 0.11 114.93 119.12 1pbx h MET 32 Ca 0.38 -0.06 -0.15 0.00 -0.28 0.00 0.00 59.70 59.59 1pbx h MET 32 Cb 0.31 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.04 1pbx h MET 32 CO -0.15 0.37 -0.68 0.82 0.23 0.00 0.00 176.91 177.50 1pbx h ILE 33 N 0.21 1.43 0.00 1.77 2.04 -1.26 -1.66 117.51 120.04 1pbx h ILE 33 Ca 0.07 -2.20 -0.01 0.00 1.00 0.00 0.00 64.86 63.73 1pbx h ILE 33 Cb 0.16 2.16 -0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1pbx h ILE 33 CO -0.01 0.64 -0.03 0.58 0.00 0.00 0.00 178.15 179.33 1pbx h VAL 34 N 0.11 1.71 0.00 1.67 2.07 -1.32 -3.27 116.25 117.22 1pbx h VAL 34 Ca -0.01 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.21 1pbx h VAL 34 Cb 1.21 3.24 0.00 0.00 -1.52 0.00 0.00 31.29 34.22 1pbx h VAL 34 CO 0.10 0.58 -0.40 0.58 0.02 0.00 0.00 177.57 178.45 1pbx h VAL 35 N -1.00 0.00 -2.01 2.57 2.07 -0.86 -3.39 116.25 113.63 1pbx h VAL 35 Ca -0.01 -0.79 -0.56 0.00 0.82 0.00 0.00 66.70 66.16 1pbx h VAL 35 Cb 0.97 1.57 -0.39 0.00 -1.52 0.00 0.00 31.29 31.92 1pbx h VAL 35 CO -0.01 0.00 -1.09 -1.22 0.02 0.00 0.00 177.57 175.27 1pbx n TYR 36 N -2.62 -0.14 0.76 1.57 4.02 -0.62 -4.94 117.16 115.19 1pbx n TYR 36 Ca 0.03 -3.61 0.06 0.00 -0.01 0.00 0.00 57.90 54.38 1pbx n TYR 36 Cb 0.50 -0.36 0.37 0.00 -0.02 0.00 0.00 39.34 39.82 1pbx n TYR 36 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1pbx n PRO 37 N 1.31 0.34 0.20 -0.72 -0.04 -1.23 -0.91 135.00 133.95 1pbx n PRO 37 Ca 0.22 0.05 0.05 0.00 -0.04 0.00 0.00 63.50 63.78 1pbx n PRO 37 Cb 0.53 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.90 1pbx n PRO 37 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 1pbx h GLN 38 N 0.00 0.00 0.00 0.54 3.07 -1.90 -2.88 115.11 113.94 1pbx h GLN 38 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1pbx h GLN 38 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.59 1pbx h GLN 38 CO 0.00 0.34 0.00 0.25 0.09 0.00 0.00 178.83 179.51 1pbx n THR 39 N -3.81 0.68 0.15 1.86 -2.24 -0.09 -3.74 114.28 107.09 1pbx n THR 39 Ca -0.01 0.17 0.02 0.00 -2.27 0.00 0.00 64.05 61.96 1pbx n THR 39 Cb 0.42 -0.84 0.38 0.00 -2.10 0.00 0.00 70.33 68.19 1pbx n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1pbx h LYS 40 N 0.00 0.14 0.00 -0.78 1.57 -1.70 -2.99 116.57 112.81 1pbx h LYS 40 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1pbx h LYS 40 Cb 0.34 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1pbx h LYS 40 CO 0.00 0.37 0.00 1.79 -0.57 0.00 0.00 179.45 181.05 1pbx h THR 41 N 0.13 0.00 0.00 -0.16 1.35 -1.80 -1.43 112.91 111.00 1pbx h THR 41 Ca 0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.87 1pbx h THR 41 Cb 0.49 0.98 -0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1pbx h THR 41 CO 0.03 0.00 -0.04 1.88 -0.25 0.00 0.00 175.52 177.14 1pbx h TYR 42 N 0.00 0.00 -0.18 4.73 -1.99 -1.82 -3.21 116.97 114.49 1pbx h TYR 42 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1pbx h TYR 42 Cb 0.01 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.74 1pbx h TYR 42 CO 0.00 0.04 0.00 1.19 -0.00 0.00 0.00 178.16 179.39 1pbx n PHE 43 N -3.13 0.37 0.18 4.88 3.72 -0.57 -4.73 117.46 118.19 1pbx n PHE 43 Ca 0.02 -0.66 0.18 0.00 -0.05 0.00 0.00 57.45 56.94 1pbx n PHE 43 Cb 0.42 -0.12 0.80 0.00 -0.94 0.00 0.00 39.48 39.65 1pbx n PHE 43 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1pbx h SER 44 N 1.11 0.00 0.72 4.37 4.64 -1.49 -1.72 113.55 121.19 1pbx h SER 44 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pbx h SER 44 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1pbx h SER 44 CO 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.01 1pbx n HIS 45 N -3.58 0.00 -2.95 4.77 1.44 -1.26 -4.77 115.22 108.86 1pbx n HIS 45 Ca 0.03 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.35 1pbx n HIS 45 Cb 0.45 -0.48 -0.06 0.00 0.12 0.00 0.00 29.99 30.03 1pbx n HIS 45 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1pbx s TRP 46 N -2.95 3.90 0.08 -1.40 0.51 -0.65 -5.01 118.94 113.42 1pbx s TRP 46 Ca 0.12 1.66 -0.24 0.00 -2.12 0.00 0.00 56.10 55.51 1pbx s TRP 46 Cb 0.14 -2.79 -0.16 0.00 -0.81 0.00 0.00 33.47 29.86 1pbx s TRP 46 CO 0.39 0.49 1.69 -1.35 -0.51 0.00 0.00 176.95 177.67 1pbx h PRO 47 N 4.23 -0.12 -5.01 4.98 0.11 -1.88 -3.41 132.00 130.90 1pbx h PRO 47 Ca -0.47 0.01 -0.67 0.00 0.11 0.00 0.00 66.00 64.98 1pbx h PRO 47 Cb 1.20 0.03 -0.32 0.00 0.11 0.00 0.00 31.00 32.02 1pbx h PRO 47 CO 0.66 -0.05 -0.80 0.34 -0.21 0.00 0.00 178.00 177.95 1pbx s ASP 48 N -5.11 3.72 -0.51 -2.05 2.15 -1.26 -5.01 116.67 108.59 1pbx s ASP 48 Ca -0.14 -0.60 0.07 0.00 0.43 0.00 0.00 52.55 52.31 1pbx s ASP 48 Cb 0.05 -1.59 0.36 0.00 -0.30 0.00 0.00 42.92 41.44 1pbx s ASP 48 CO 0.65 -0.03 0.93 0.52 -0.17 0.00 0.00 175.17 177.07 1pbx n VAL 49 N 4.68 2.28 -4.41 1.11 0.31 -1.26 -4.72 118.33 116.32 1pbx n VAL 49 Ca -0.19 -5.21 -0.23 0.00 -0.01 0.00 0.00 64.34 58.69 1pbx n VAL 49 Cb 0.50 -1.08 -0.13 0.00 -0.91 0.00 0.00 33.84 32.22 1pbx n VAL 49 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1pbx s THR 50 N -4.16 1.56 0.36 2.52 -4.23 -1.26 -4.99 115.64 105.43 1pbx s THR 50 Ca 0.46 -1.33 0.27 0.00 -1.18 0.00 0.00 61.69 59.92 1pbx s THR 50 Cb 0.32 -1.40 0.41 0.00 1.34 0.00 0.00 72.50 73.17 1pbx s THR 50 CO -0.13 0.03 1.25 -2.65 -0.54 0.00 0.00 174.62 172.58 1pbx n PRO 51 N 1.48 -0.03 0.00 3.99 -0.02 -1.26 -2.11 135.00 137.06 1pbx n PRO 51 Ca -0.19 1.00 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1pbx n PRO 51 Cb 0.54 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 1pbx n PRO 51 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pbx n GLY 52 N -1.44 -2.52 0.00 -1.23 0.00 -1.26 -4.92 105.19 93.83 1pbx n GLY 52 Ca 0.33 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1pbx n GLY 52 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pbx n SER 53 N -2.03 0.00 0.25 1.61 2.88 -0.90 -4.60 113.62 110.83 1pbx n SER 53 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 1pbx n SER 53 Cb 0.00 0.00 0.62 0.00 -0.75 0.00 0.00 64.21 64.08 1pbx n SER 53 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1pbx h PRO 54 N 0.08 0.00 0.02 -1.46 0.11 -1.89 -2.37 132.00 126.49 1pbx h PRO 54 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 1pbx h PRO 54 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1pbx h PRO 54 CO 0.00 0.16 -0.01 0.45 -0.21 0.00 0.00 178.00 178.39 1pbx h HIS 55 N 0.00 -0.02 -0.73 0.65 3.86 -1.89 -1.48 115.15 115.54 1pbx h HIS 55 Ca -0.00 -0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 1pbx h HIS 55 Cb 0.52 0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.97 1pbx h HIS 55 CO 0.00 0.34 0.22 0.82 0.86 0.00 0.00 177.93 180.17 1pbx h ILE 56 N -0.39 1.26 -0.19 2.45 1.08 -1.82 -2.24 117.51 117.67 1pbx h ILE 56 Ca -0.00 -0.91 -0.17 0.00 -0.39 0.00 0.00 64.86 63.38 1pbx h ILE 56 Cb 0.37 0.47 -0.00 0.00 -3.07 0.00 0.00 36.82 34.59 1pbx h ILE 56 CO 0.00 0.36 -0.57 0.50 -0.69 0.00 0.00 178.15 177.75 1pbx h LYS 57 N 1.08 0.59 -0.08 2.37 3.64 -1.35 -1.05 116.57 121.78 1pbx h LYS 57 Ca 0.23 -0.38 -0.12 0.00 -1.27 0.00 0.00 60.65 59.11 1pbx h LYS 57 Cb 0.32 0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1pbx h LYS 57 CO -0.01 1.00 -0.42 0.00 -2.27 0.00 0.00 179.45 177.75 1pbx h ALA 58 N 0.92 0.15 0.00 5.00 0.00 -1.06 -2.94 119.26 121.33 1pbx h ALA 58 Ca 0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1pbx h ALA 58 Cb 1.13 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1pbx h ALA 58 CO 0.11 0.28 -0.13 1.25 0.00 0.00 0.00 179.25 180.77 1pbx h HIS 59 N -0.04 0.00 -0.16 0.00 -0.00 -1.47 -2.03 115.15 111.45 1pbx h HIS 59 Ca -0.03 0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 60.22 1pbx h HIS 59 Cb 1.07 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.47 1pbx h HIS 59 CO 0.12 0.13 -0.40 0.78 -0.00 0.00 0.00 177.93 178.57 1pbx h GLY 60 N 2.16 0.40 0.87 5.26 0.00 -1.10 -1.24 103.07 109.41 1pbx h GLY 60 Ca -0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 1pbx h GLY 60 CO 0.02 0.34 -0.07 1.70 0.00 0.00 0.00 176.54 178.52 1pbx h LYS 61 N 0.31 -0.20 -0.52 4.80 3.64 -1.27 -2.77 116.57 120.56 1pbx h LYS 61 Ca 0.03 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.47 1pbx h LYS 61 Cb 0.83 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.65 1pbx h LYS 61 CO 0.07 -0.02 0.25 0.87 -2.27 0.00 0.00 179.45 178.34 1pbx h LYS 62 N -0.34 0.47 -0.66 1.90 1.57 -1.04 -1.84 116.57 116.63 1pbx h LYS 62 Ca -0.02 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.79 1pbx h LYS 62 Cb 0.27 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 1pbx h LYS 62 CO 0.03 0.31 0.37 0.28 -0.57 0.00 0.00 179.45 179.88 1pbx h VAL 63 N 0.48 0.98 -0.02 0.50 2.07 -1.20 0.71 116.25 119.77 1pbx h VAL 63 Ca 0.23 -0.24 -0.11 0.00 0.82 0.00 0.00 66.70 67.41 1pbx h VAL 63 Cb 0.17 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1pbx h VAL 63 CO -0.18 0.13 -0.52 0.24 0.02 0.00 0.00 177.57 177.25 1pbx h MET 64 N 0.69 0.05 -0.59 1.57 2.86 -1.41 -0.57 114.93 117.53 1pbx h MET 64 Ca 0.29 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.83 1pbx h MET 64 Cb 0.17 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 1pbx h MET 64 CO -0.17 0.56 0.07 0.78 1.06 0.00 0.00 176.91 179.21 1pbx h GLY 65 N 1.53 1.03 1.94 8.32 0.00 -0.60 0.34 103.07 115.64 1pbx h GLY 65 Ca -0.00 -0.68 -0.10 0.00 0.00 0.00 0.00 47.33 46.56 1pbx h GLY 65 CO 0.07 0.63 -0.43 -1.33 0.00 0.00 0.00 176.54 175.47 1pbx h GLY 66 N 1.02 0.07 0.85 4.60 0.00 0.52 -1.90 103.07 108.22 1pbx h GLY 66 Ca 0.18 -0.07 -0.12 0.00 0.00 0.00 0.00 47.33 47.32 1pbx h GLY 66 CO 0.01 0.06 -0.39 -2.22 0.00 0.00 0.00 176.54 174.00 1pbx h ILE 67 N 0.05 1.36 -0.46 2.60 1.08 -0.09 -2.37 117.51 119.68 1pbx h ILE 67 Ca 0.00 -1.68 0.07 0.00 -0.39 0.00 0.00 64.86 62.86 1pbx h ILE 67 Cb 0.79 2.07 -0.06 0.00 -3.07 0.00 0.00 36.82 36.56 1pbx h ILE 67 CO 0.06 0.51 0.13 0.00 -0.69 0.00 0.00 178.15 178.15 1pbx h ALA 68 N 0.52 0.53 -0.24 1.87 0.00 -0.89 -1.22 119.26 119.84 1pbx h ALA 68 Ca -0.01 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1pbx h ALA 68 Cb 1.01 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 1pbx h ALA 68 CO 0.08 -0.27 -0.20 1.25 0.00 0.00 0.00 179.25 180.11 1pbx h LEU 69 N 0.28 -0.65 -1.19 0.00 5.85 -1.27 -0.35 115.31 117.96 1pbx h LEU 69 Ca 0.22 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 59.06 1pbx h LEU 69 Cb 0.26 0.32 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 1pbx h LEU 69 CO -0.26 -0.24 0.41 0.00 -0.34 0.00 0.00 178.44 178.00 1pbx h ALA 70 N 0.89 1.39 -0.03 1.25 0.00 -1.05 -0.67 119.26 121.04 1pbx h ALA 70 Ca 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1pbx h ALA 70 Cb 0.41 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1pbx h ALA 70 CO -0.36 0.51 0.02 0.28 0.00 0.00 0.00 179.25 179.71 1pbx h VAL 71 N 0.97 1.01 -0.00 0.00 2.07 -0.19 -1.02 116.25 119.10 1pbx h VAL 71 Ca 0.25 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.78 1pbx h VAL 71 Cb -0.01 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 1pbx h VAL 71 CO -0.04 0.01 -0.26 0.28 0.02 0.00 0.00 177.57 177.58 1pbx h SER 72 N 0.04 -0.77 -0.22 0.57 0.02 -0.65 -2.60 113.55 109.94 1pbx h SER 72 Ca 0.01 0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1pbx h SER 72 Cb -0.00 0.32 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 1pbx h SER 72 CO -0.00 -0.33 0.05 0.29 -1.14 0.00 0.00 176.83 175.70 1pbx n LYS 73 N -5.38 2.06 0.09 3.45 4.76 -0.30 -4.71 118.16 118.14 1pbx n LYS 73 Ca -0.05 -1.02 0.04 0.00 -2.87 0.00 0.00 58.31 54.42 1pbx n LYS 73 Cb 0.29 -1.66 0.24 0.00 -1.84 0.00 0.00 35.03 32.05 1pbx n LYS 73 CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 1pbx n ILE 74 N 0.15 1.06 0.13 -0.18 3.06 -0.40 -0.59 119.36 122.58 1pbx n ILE 74 Ca 0.12 0.63 0.11 0.00 -2.50 0.00 0.00 62.75 61.11 1pbx n ILE 74 Cb 0.64 -1.63 0.04 0.00 0.54 0.00 0.00 39.64 39.22 1pbx n ILE 74 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 1pbx h ASP 75 N 0.00 0.00 -1.17 9.51 3.32 -1.87 -3.41 116.42 122.80 1pbx h ASP 75 Ca 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 1pbx h ASP 75 Cb 0.35 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.70 1pbx h ASP 75 CO 0.00 0.01 -0.52 -0.62 -1.72 0.00 0.00 179.24 176.39 1pbx s ASP 76 N -5.56 -1.06 0.14 6.45 2.15 0.24 -4.97 116.67 114.07 1pbx s ASP 76 Ca 0.01 -1.40 -0.15 0.00 0.43 0.00 0.00 52.55 51.44 1pbx s ASP 76 Cb 0.09 1.66 0.01 0.00 -0.30 0.00 0.00 42.92 44.38 1pbx s ASP 76 CO 0.76 -0.13 1.69 -0.07 -0.17 0.00 0.00 175.17 177.26 1pbx h LEU 77 N 6.07 0.61 0.17 -1.34 3.38 -1.74 0.15 115.31 122.60 1pbx h LEU 77 Ca 0.07 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1pbx h LEU 77 Cb 1.12 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 1pbx h LEU 77 CO 0.09 0.60 -0.49 0.50 0.09 0.00 0.00 178.44 179.23 1pbx h LYS 78 N 0.57 -0.73 0.01 1.13 3.64 -1.90 -0.66 116.57 118.63 1pbx h LYS 78 Ca 0.15 0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.39 1pbx h LYS 78 Cb 0.19 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1pbx h LYS 78 CO -0.01 -0.49 -0.90 1.79 -2.27 0.00 0.00 179.45 177.58 1pbx h THR 79 N -0.76 1.60 -0.45 1.00 1.35 -1.94 -3.10 112.91 110.63 1pbx h THR 79 Ca -0.00 -2.94 0.02 0.00 -0.55 0.00 0.00 66.41 62.93 1pbx h THR 79 Cb 0.75 2.61 -0.02 0.00 -1.73 0.00 0.00 68.15 69.76 1pbx h THR 79 CO -0.25 0.84 0.30 1.23 -0.25 0.00 0.00 175.52 177.40 1pbx h GLY 80 N 2.44 0.60 -1.10 5.82 0.00 -0.52 -3.07 103.07 107.25 1pbx h GLY 80 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1pbx h GLY 80 CO 0.12 0.20 0.00 1.04 0.00 0.00 0.00 176.54 177.91 1pbx n LEU 81 N -4.47 3.39 -0.18 3.11 4.77 -0.27 -4.67 117.00 118.67 1pbx n LEU 81 Ca 0.04 -3.02 0.11 0.00 -0.03 0.00 0.00 56.01 53.12 1pbx n LEU 81 Cb 0.09 -0.50 0.43 0.00 -2.33 0.00 0.00 43.42 41.11 1pbx n LEU 81 CO 0.35 0.68 1.21 -0.03 -1.33 0.00 0.00 177.39 178.27 1pbx h MET 82 N 1.24 0.56 -0.20 3.23 4.05 -1.45 -0.13 114.93 122.23 1pbx h MET 82 Ca 0.00 -0.03 -0.08 0.00 -0.28 0.00 0.00 59.70 59.30 1pbx h MET 82 Cb 1.29 -0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 31.96 1pbx h MET 82 CO 0.15 0.37 -0.20 1.05 0.23 0.00 0.00 176.91 178.51 1pbx h GLU 83 N 0.57 0.50 -0.75 0.39 -0.00 -1.84 -1.99 114.58 111.47 1pbx h GLU 83 Ca 0.35 -0.26 0.04 0.00 -0.00 0.00 0.00 59.36 59.49 1pbx h GLU 83 Cb 0.59 0.01 -0.05 0.00 -0.00 0.00 0.00 28.75 29.30 1pbx h GLU 83 CO -0.13 0.84 0.46 -0.07 -0.00 0.00 0.00 179.01 180.12 1pbx h LEU 84 N 0.17 0.74 -0.68 3.06 3.38 -1.85 -2.27 115.31 117.86 1pbx h LEU 84 Ca 0.03 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1pbx h LEU 84 Cb 0.75 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1pbx h LEU 84 CO 0.05 0.50 0.29 -1.28 0.09 0.00 0.00 178.44 178.09 1pbx h SER 85 N 0.88 0.93 0.20 -0.43 0.87 -0.92 -0.08 113.55 115.01 1pbx h SER 85 Ca 0.31 -0.16 0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1pbx h SER 85 Cb 0.08 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 1pbx h SER 85 CO -0.13 0.84 -0.23 -0.08 -0.53 0.00 0.00 176.83 176.69 1pbx h GLU 86 N 0.97 -0.46 -0.21 2.24 4.57 -0.81 0.19 114.58 121.06 1pbx h GLU 86 Ca 0.23 0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.42 1pbx h GLU 86 Cb 0.19 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 1pbx h GLU 86 CO -0.02 -0.31 0.04 0.37 -1.18 0.00 0.00 179.01 177.92 1pbx h GLN 87 N -0.48 0.35 0.15 1.92 4.15 -1.26 -0.34 115.11 119.60 1pbx h GLN 87 Ca 0.01 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 1pbx h GLN 87 Cb 0.46 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.11 1pbx h GLN 87 CO -0.08 0.48 -0.07 0.45 -1.93 0.00 0.00 178.83 177.68 1pbx h HIS 88 N 0.16 -0.18 0.00 3.99 3.86 -0.92 0.22 115.15 122.28 1pbx h HIS 88 Ca 0.07 -0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.12 1pbx h HIS 88 Cb 0.29 0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.80 1pbx h HIS 88 CO 0.01 0.07 -0.73 0.00 0.86 0.00 0.00 177.93 178.14 1pbx h ALA 89 N -0.79 0.79 0.00 2.45 0.00 -1.13 -1.11 119.26 119.47 1pbx h ALA 89 Ca -0.02 -0.66 -0.12 0.00 0.00 0.00 0.00 54.91 54.11 1pbx h ALA 89 Cb 0.33 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1pbx h ALA 89 CO 0.03 0.91 -1.22 0.98 0.00 0.00 0.00 179.25 179.95 1pbx n TYR 90 N -3.66 0.00 0.33 0.00 4.19 -0.19 -4.15 117.16 113.68 1pbx n TYR 90 Ca -0.01 0.00 -0.15 0.00 3.31 0.00 0.00 57.90 61.05 1pbx n TYR 90 Cb 0.71 -0.49 -0.08 0.00 0.49 0.00 0.00 39.34 39.97 1pbx n TYR 90 CO 0.00 0.00 0.00 -0.22 0.91 0.00 0.00 176.86 177.55 1pbx h LYS 91 N -0.73 -0.84 0.00 2.98 3.64 -1.34 -3.31 116.57 116.97 1pbx h LYS 91 Ca -0.18 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1pbx h LYS 91 Cb 0.98 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1pbx h LYS 91 CO -0.11 -0.52 0.00 -0.07 -2.27 0.00 0.00 179.45 176.48 1pbx h LEU 92 N -1.13 0.00 -3.71 5.20 3.38 -0.63 -3.48 115.31 114.95 1pbx h LEU 92 Ca -0.09 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.34 1pbx h LEU 92 Cb 0.70 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.47 1pbx h LEU 92 CO 0.15 0.00 -0.99 0.54 0.09 0.00 0.00 178.44 178.23 1pbx n ARG 93 N -2.71 -0.60 -2.81 1.13 5.12 -0.53 -4.85 116.66 111.41 1pbx n ARG 93 Ca 0.03 0.24 -0.41 0.00 -1.93 0.00 0.00 57.85 55.77 1pbx n ARG 93 Cb 0.38 -3.00 -0.03 0.00 -1.16 0.00 0.00 32.46 28.65 1pbx n ARG 93 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1pbx s VAL 94 N -3.47 4.92 -0.06 1.55 1.01 -0.57 -4.97 120.40 118.80 1pbx s VAL 94 Ca 0.46 1.87 -0.29 0.00 0.00 0.00 0.00 61.98 64.02 1pbx s VAL 94 Cb -0.23 -4.24 -0.07 0.00 0.00 0.00 0.00 36.38 31.85 1pbx s VAL 94 CO 0.93 0.18 1.94 -0.62 0.00 0.00 0.00 175.10 177.53 1pbx s ASP 95 N 0.95 6.25 0.44 3.32 -1.08 -1.26 -4.81 116.67 120.49 1pbx s ASP 95 Ca 0.47 2.31 0.35 0.00 -0.52 0.00 0.00 52.55 55.17 1pbx s ASP 95 Cb -0.20 -2.53 1.44 0.00 -1.46 0.00 0.00 42.92 40.17 1pbx s ASP 95 CO 0.25 -1.26 1.43 -0.81 0.52 0.00 0.00 175.17 175.30 1pbx n PRO 96 N 7.77 -0.02 -0.08 4.34 -0.04 -1.26 -0.21 135.00 145.50 1pbx n PRO 96 Ca 0.22 1.11 0.00 0.00 -0.04 0.00 0.00 63.50 64.79 1pbx n PRO 96 Cb 0.43 -2.28 0.29 0.00 -0.04 0.00 0.00 33.50 31.90 1pbx n PRO 96 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pbx h ALA 97 N 1.30 1.44 -0.29 0.55 0.00 -2.02 -2.32 119.26 117.92 1pbx h ALA 97 Ca 0.83 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.60 1pbx h ALA 97 Cb 2.86 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 20.43 1pbx h ALA 97 CO -0.31 0.43 0.12 -0.91 0.00 0.00 0.00 179.25 178.59 1pbx h ASN 98 N 0.70 0.36 -0.75 0.00 -0.26 -0.97 -1.32 115.58 113.35 1pbx h ASN 98 Ca 0.17 -0.03 -0.06 0.00 -0.56 0.00 0.00 56.30 55.83 1pbx h ASN 98 Cb 0.12 -0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 37.25 1pbx h ASN 98 CO -0.02 0.33 0.25 -0.26 -1.06 0.00 0.00 177.43 176.68 1pbx h PHE 99 N 0.41 1.20 -0.92 1.19 0.04 -1.54 -0.17 116.94 117.15 1pbx h PHE 99 Ca 0.10 -0.11 0.05 0.00 2.80 0.00 0.00 57.97 60.82 1pbx h PHE 99 Cb 0.08 -0.35 -0.06 0.00 2.20 0.00 0.00 35.95 37.82 1pbx h PHE 99 CO 0.00 0.94 0.60 0.87 -0.60 0.00 0.00 178.31 180.12 1pbx h LYS 100 N 1.12 1.05 0.34 1.51 1.57 -1.31 -1.40 116.57 119.45 1pbx h LYS 100 Ca 0.25 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1pbx h LYS 100 Cb 0.29 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1pbx h LYS 100 CO -0.01 0.70 -0.16 0.82 -0.57 0.00 0.00 179.45 180.22 1pbx h ILE 101 N 1.08 0.00 -0.87 1.86 2.04 -0.98 -1.36 117.51 119.29 1pbx h ILE 101 Ca 0.39 -0.01 0.22 0.00 1.00 0.00 0.00 64.86 66.46 1pbx h ILE 101 Cb 0.13 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.08 1pbx h ILE 101 CO -0.14 0.00 0.27 0.25 0.00 0.00 0.00 178.15 178.54 1pbx h LEU 102 N -0.47 0.10 -0.61 1.44 5.85 -1.04 0.71 115.31 121.29 1pbx h LEU 102 Ca -0.05 0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.91 1pbx h LEU 102 Cb 0.35 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 1pbx h LEU 102 CO 0.08 -0.10 0.33 0.78 -0.34 0.00 0.00 178.44 179.18 1pbx h ASN 103 N 0.27 0.48 -0.24 1.25 2.35 -1.18 -1.74 115.58 116.76 1pbx h ASN 103 Ca 0.54 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 56.31 1pbx h ASN 103 Cb 1.05 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.35 1pbx h ASN 103 CO -0.60 0.32 0.13 -0.74 -1.65 0.00 0.00 177.43 174.88 1pbx h HIS 104 N 0.61 0.33 -0.84 1.19 2.76 0.29 -2.31 115.15 117.18 1pbx h HIS 104 Ca 0.27 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.49 1pbx h HIS 104 Cb 0.17 -0.10 -0.06 0.00 1.55 0.00 0.00 27.41 28.96 1pbx h HIS 104 CO -0.09 0.29 0.52 0.00 -1.30 0.00 0.00 177.93 177.35 1pbx h ILE 106 N 0.96 1.15 -0.70 0.00 2.04 -1.09 -0.34 117.51 119.53 1pbx h ILE 106 Ca 0.37 -0.41 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 1pbx h ILE 106 Cb 0.16 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1pbx h ILE 106 CO -0.17 0.16 0.22 -0.07 0.00 0.00 0.00 178.15 178.30 1pbx h LEU 107 N 0.46 1.01 -0.23 1.44 3.38 -0.76 0.05 115.31 120.66 1pbx h LEU 107 Ca 0.13 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1pbx h LEU 107 Cb 0.08 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1pbx h LEU 107 CO -0.02 0.95 0.07 0.58 0.09 0.00 0.00 178.44 180.10 1pbx h VAL 108 N 1.02 1.20 -0.50 1.22 2.07 -0.72 -1.85 116.25 118.68 1pbx h VAL 108 Ca 0.23 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 67.13 1pbx h VAL 108 Cb 0.29 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1pbx h VAL 108 CO -0.01 0.20 0.32 0.58 0.02 0.00 0.00 177.57 178.68 1pbx h VAL 109 N 0.19 1.09 -0.75 2.57 2.07 -0.65 -1.85 116.25 118.92 1pbx h VAL 109 Ca 0.07 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 1pbx h VAL 109 Cb 0.25 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 1pbx h VAL 109 CO -0.00 0.12 0.36 0.40 0.02 0.00 0.00 177.57 178.46 1pbx h ILE 110 N 0.64 1.24 -0.63 4.57 2.04 -0.89 -1.77 117.51 122.70 1pbx h ILE 110 Ca 0.19 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 1pbx h ILE 110 Cb -0.03 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.30 1pbx h ILE 110 CO -0.06 0.28 0.34 0.28 0.00 0.00 0.00 178.15 178.99 1pbx h SER 111 N 1.07 0.78 -0.08 1.72 0.02 -0.70 -0.76 113.55 115.60 1pbx h SER 111 Ca 0.26 -0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.18 1pbx h SER 111 Cb 0.11 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 1pbx h SER 111 CO -0.03 0.64 -0.08 0.74 -1.14 0.00 0.00 176.83 176.95 1pbx h THR 112 N 0.88 0.77 0.14 -2.27 2.02 -0.55 -3.26 112.91 110.64 1pbx h THR 112 Ca 0.22 0.00 -0.35 0.00 0.77 0.00 0.00 66.41 67.05 1pbx h THR 112 Cb 0.03 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1pbx h THR 112 CO -0.04 0.00 -1.86 0.24 0.37 0.00 0.00 175.52 174.24 1pbx h MET 113 N -0.10 0.31 -2.10 6.66 2.07 -1.19 -3.41 114.93 117.17 1pbx h MET 113 Ca 0.06 -0.52 -0.53 0.00 -2.07 0.00 0.00 59.70 56.64 1pbx h MET 113 Cb 0.19 0.19 -0.41 0.00 -1.87 0.00 0.00 31.60 29.71 1pbx h MET 113 CO -0.15 1.22 -0.98 1.19 1.07 0.00 0.00 176.91 179.26 1pbx n PHE 114 N -3.50 1.50 -0.21 -0.22 3.72 -0.31 -4.93 117.46 113.51 1pbx n PHE 114 Ca -0.27 -3.86 0.10 0.00 -0.05 0.00 0.00 57.45 53.36 1pbx n PHE 114 Cb 1.06 -0.44 0.40 0.00 -0.94 0.00 0.00 39.48 39.55 1pbx n PHE 114 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1pbx h PRO 115 N 3.20 0.64 0.00 -1.08 0.13 -1.72 -1.82 132.00 131.36 1pbx h PRO 115 Ca 0.11 -0.04 -0.16 0.00 -0.87 0.00 0.00 66.00 65.04 1pbx h PRO 115 Cb 0.80 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.76 1pbx h PRO 115 CO 0.61 0.42 -0.78 -0.22 -0.23 0.00 0.00 178.00 177.81 1pbx h LYS 116 N 0.66 0.00 0.00 0.86 3.64 -1.91 -3.29 116.57 116.52 1pbx h LYS 116 Ca 0.37 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.74 1pbx h LYS 116 Cb 0.55 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1pbx h LYS 116 CO -0.14 0.78 -0.72 0.93 -2.27 0.00 0.00 179.45 178.02 1pbx h GLU 117 N 0.00 0.00 -3.85 1.90 3.07 -1.84 -3.39 114.58 110.47 1pbx h GLU 117 Ca -0.01 0.00 -0.74 0.00 -0.50 0.00 0.00 59.36 58.12 1pbx h GLU 117 Cb 1.51 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 29.31 1pbx h GLU 117 CO 0.10 0.02 2.34 0.34 -1.40 0.00 0.00 179.01 180.42 1pbx n PHE 118 N -2.82 3.35 -1.99 4.33 7.35 -0.73 -4.82 117.46 122.13 1pbx n PHE 118 Ca 0.01 -2.89 -0.29 0.00 -0.76 0.00 0.00 57.45 53.52 1pbx n PHE 118 Cb 0.56 -2.19 0.06 0.00 0.35 0.00 0.00 39.48 38.26 1pbx n PHE 118 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1pbx s THR 119 N 1.53 2.85 0.19 -2.13 -4.23 -1.26 -4.85 115.64 107.75 1pbx s THR 119 Ca 0.43 0.17 -0.11 0.00 -1.18 0.00 0.00 61.69 60.99 1pbx s THR 119 Cb 0.10 -3.25 0.11 0.00 1.34 0.00 0.00 72.50 70.79 1pbx s THR 119 CO -0.02 -0.32 1.77 -0.65 -0.54 0.00 0.00 174.62 174.86 1pbx h PRO 120 N -0.73 0.46 -0.44 3.99 0.11 -1.98 0.74 132.00 134.16 1pbx h PRO 120 Ca -0.45 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.64 1pbx h PRO 120 Cb 1.29 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1pbx h PRO 120 CO 0.64 0.30 0.28 0.93 -0.21 0.00 0.00 178.00 179.95 1pbx h GLU 121 N 0.47 0.56 -0.36 1.05 3.07 -1.97 0.34 114.58 117.75 1pbx h GLU 121 Ca 0.26 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 59.04 1pbx h GLU 121 Cb 0.24 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 1pbx h GLU 121 CO -0.22 0.37 0.03 0.00 -1.40 0.00 0.00 179.01 177.79 1pbx h ALA 122 N 1.17 1.38 -0.01 3.43 0.00 -1.69 -2.51 119.26 121.02 1pbx h ALA 122 Ca 0.16 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1pbx h ALA 122 Cb -0.05 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1pbx h ALA 122 CO -0.04 0.44 0.00 1.25 0.00 0.00 0.00 179.25 180.90 1pbx h HIS 123 N 0.53 0.01 -0.37 0.00 6.17 0.15 0.67 115.15 122.32 1pbx h HIS 123 Ca 0.12 -0.00 0.07 0.00 0.71 0.00 0.00 60.37 61.26 1pbx h HIS 123 Cb 0.30 -0.00 -0.06 0.00 2.52 0.00 0.00 27.41 30.17 1pbx h HIS 123 CO 0.01 0.12 -0.01 0.28 0.71 0.00 0.00 177.93 179.04 1pbx h VAL 124 N -0.10 0.72 -0.02 5.26 2.07 -0.52 -0.98 116.25 122.68 1pbx h VAL 124 Ca 0.00 -0.03 -0.16 0.00 0.82 0.00 0.00 66.70 67.33 1pbx h VAL 124 Cb 0.11 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1pbx h VAL 124 CO -0.00 0.02 -0.74 0.28 0.02 0.00 0.00 177.57 177.15 1pbx h SER 125 N 0.09 0.15 0.33 0.57 0.02 -1.44 -1.02 113.55 112.25 1pbx h SER 125 Ca 0.18 -0.10 -0.11 0.00 -0.84 0.00 0.00 61.79 60.92 1pbx h SER 125 Cb 0.25 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1pbx h SER 125 CO -0.31 0.83 -0.46 0.25 -1.14 0.00 0.00 176.83 176.01 1pbx h LEU 126 N 0.08 0.17 -0.09 5.07 5.85 -0.66 -1.14 115.31 124.58 1pbx h LEU 126 Ca -0.02 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 1pbx h LEU 126 Cb 1.31 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.29 1pbx h LEU 126 CO 0.11 0.61 -0.23 -0.78 -0.34 0.00 0.00 178.44 177.80 1pbx h ASP 127 N 0.13 0.36 -0.69 1.25 3.58 -0.96 0.24 116.42 120.33 1pbx h ASP 127 Ca 0.01 -0.58 0.02 0.00 0.42 0.00 0.00 57.03 56.90 1pbx h ASP 127 Cb 0.86 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.77 1pbx h ASP 127 CO 0.07 0.88 0.46 0.11 -2.88 0.00 0.00 179.24 177.87 1pbx h LYS 128 N -0.14 0.84 0.18 0.28 1.57 -1.05 0.43 116.57 118.67 1pbx h LYS 128 Ca -0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1pbx h LYS 128 Cb 0.83 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1pbx h LYS 128 CO 0.05 0.56 -0.09 0.35 -0.57 0.00 0.00 179.45 179.75 1pbx h PHE 129 N 0.87 -0.22 -0.28 -1.35 3.57 -1.01 0.16 116.94 118.68 1pbx h PHE 129 Ca 0.27 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 1pbx h PHE 129 Cb 0.00 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1pbx h PHE 129 CO -0.00 -0.03 0.02 -0.07 -2.23 0.00 0.00 178.31 176.00 1pbx h LEU 130 N -0.37 0.38 -0.60 0.59 3.38 -0.35 0.28 115.31 118.60 1pbx h LEU 130 Ca -0.02 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.77 1pbx h LEU 130 Cb 0.29 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1pbx h LEU 130 CO 0.04 0.42 -0.26 0.28 0.09 0.00 0.00 178.44 179.02 1pbx h SER 131 N 0.40 0.86 -0.32 -0.43 0.02 -0.74 -1.66 113.55 111.69 1pbx h SER 131 Ca 0.09 -0.33 -0.10 0.00 -0.84 0.00 0.00 61.79 60.61 1pbx h SER 131 Cb 0.23 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1pbx h SER 131 CO 0.00 1.07 -0.15 1.23 -1.14 0.00 0.00 176.83 177.85 1pbx h GLY 132 N 0.93 0.83 0.67 -3.77 0.00 -0.35 -0.28 103.07 101.09 1pbx h GLY 132 Ca 0.09 -0.65 0.03 0.00 0.00 0.00 0.00 47.33 46.80 1pbx h GLY 132 CO 0.07 0.59 -0.10 -2.08 0.00 0.00 0.00 176.54 175.01 1pbx h VAL 133 N 0.69 0.72 -0.31 4.60 2.07 -0.14 0.21 116.25 124.09 1pbx h VAL 133 Ca 0.11 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.67 1pbx h VAL 133 Cb 0.63 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1pbx h VAL 133 CO 0.04 0.00 0.08 0.00 0.02 0.00 0.00 177.57 177.71 1pbx h ALA 134 N 0.87 0.33 -0.54 1.67 0.00 -1.17 0.66 119.26 121.08 1pbx h ALA 134 Ca 0.06 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1pbx h ALA 134 Cb 0.23 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1pbx h ALA 134 CO -0.14 -0.33 0.15 1.25 0.00 0.00 0.00 179.25 180.17 1pbx h LEU 135 N 0.20 0.80 -0.27 0.00 5.85 -0.82 0.74 115.31 121.80 1pbx h LEU 135 Ca 0.14 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1pbx h LEU 135 Cb 0.14 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1pbx h LEU 135 CO -0.17 0.81 0.17 0.00 -0.34 0.00 0.00 178.44 178.91 1pbx h ALA 136 N 1.02 0.35 0.00 1.25 0.00 0.27 -2.07 119.26 120.08 1pbx h ALA 136 Ca 0.17 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1pbx h ALA 136 Cb 0.31 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1pbx h ALA 136 CO -0.00 -0.16 -0.02 -0.07 0.00 0.00 0.00 179.25 179.00 1pbx h LEU 137 N 0.35 0.00 -0.12 0.00 4.07 0.64 -2.79 115.31 117.46 1pbx h LEU 137 Ca 0.10 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1pbx h LEU 137 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1pbx h LEU 137 CO -0.02 0.02 -0.08 0.00 -1.08 0.00 0.00 178.44 177.27 1pbx n ALA 138 N -2.12 2.68 -0.29 1.53 0.00 0.22 -4.21 120.51 118.32 1pbx n ALA 138 Ca -0.02 -0.22 0.12 0.00 0.00 0.00 0.00 53.44 53.32 1pbx n ALA 138 Cb 0.18 -1.39 0.28 0.00 0.00 0.00 0.00 19.45 18.52 1pbx n ALA 138 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1pbx h GLU 139 N 0.30 0.33 -0.70 0.00 4.57 -1.42 -2.76 114.58 114.91 1pbx h GLU 139 Ca 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1pbx h GLU 139 Cb 0.35 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1pbx h GLU 139 CO 0.00 0.22 0.00 0.54 -1.18 0.00 0.00 179.01 178.59 1pbx n ARG 140 N -5.10 3.29 0.18 1.92 5.12 -1.26 -4.55 116.66 116.26 1pbx n ARG 140 Ca 0.20 -1.96 -0.08 0.00 -1.93 0.00 0.00 57.85 54.08 1pbx n ARG 140 Cb 0.62 -1.90 -0.04 0.00 -1.16 0.00 0.00 32.46 29.98 1pbx n ARG 140 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1pbx h TYR 141 N 2.58 -0.46 0.00 -1.55 0.05 -1.71 -3.39 116.97 112.49 1pbx h TYR 141 Ca 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1pbx h TYR 141 Cb 1.33 0.15 0.00 0.00 1.01 0.00 0.00 36.73 39.22 1pbx h TYR 141 CO 0.65 -0.29 0.00 2.89 -1.05 0.00 0.00 178.16 180.36