#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpa h ASP -4 N 0.00 -1.20 0.07 4.04 3.32 -2.12 -3.32 116.42 117.20 2rpa h ASP -4 Ca 0.00 0.09 -0.27 0.00 0.02 0.00 0.00 57.03 56.88 2rpa h ASP -4 Cb 0.00 0.39 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 2rpa h ASP -4 CO 0.00 -0.62 -1.42 0.45 -1.72 0.00 0.00 179.24 175.93 2rpa h HIS -3 N -0.94 0.25 -3.79 4.55 3.86 -2.09 -3.49 115.15 113.51 2rpa h HIS -3 Ca -0.05 -0.19 -0.23 0.00 -1.16 0.00 0.00 60.37 58.74 2rpa h HIS -3 Cb 0.81 -0.01 0.08 0.00 1.06 0.00 0.00 27.41 29.35 2rpa h HIS -3 CO -0.21 1.56 -0.39 -0.12 0.86 0.00 0.00 177.93 179.62 2rpa n MET -2 N -4.06 -4.56 -4.16 2.45 1.56 -1.25 -5.04 117.12 102.07 2rpa n MET -2 Ca -0.29 0.48 -0.16 0.00 -0.27 0.00 0.00 57.70 57.46 2rpa n MET -2 Cb 0.83 -4.44 -0.12 0.00 2.15 0.00 0.00 33.22 31.63 2rpa n MET -2 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 2rpa s THR -1 N -3.18 0.85 0.00 1.12 -1.32 -1.26 -5.03 115.64 106.82 2rpa s THR -1 Ca 0.32 -1.11 0.00 0.00 -1.21 0.00 0.00 61.69 59.70 2rpa s THR -1 Cb -0.14 -0.84 0.00 0.00 -1.51 0.00 0.00 72.50 70.00 2rpa s THR -1 CO 0.42 -0.23 0.00 1.15 -2.21 0.00 0.00 174.62 173.75 2rpa n MET 1 N 1.54 1.25 -3.65 7.08 0.00 -1.26 -5.11 117.12 116.97 2rpa n MET 1 Ca -0.21 0.00 -0.01 0.00 0.00 0.00 0.00 57.70 57.49 2rpa n MET 1 Cb 0.55 -0.90 -0.01 0.00 0.00 0.00 0.00 33.22 32.86 2rpa n MET 1 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2rpa s SER 2 N -1.62 -0.10 0.26 3.17 0.01 -1.26 -5.03 113.70 109.13 2rpa s SER 2 Ca 0.00 -0.19 0.23 0.00 1.31 0.00 0.00 55.95 57.30 2rpa s SER 2 Cb 0.00 0.25 0.25 0.00 0.21 0.00 0.00 66.02 66.73 2rpa s SER 2 CO 0.00 -0.46 1.34 0.25 0.41 0.00 0.00 173.24 174.78 2rpa h LEU 3 N 2.00 0.00 -0.43 2.44 5.85 -2.01 -3.34 115.31 119.82 2rpa h LEU 3 Ca -0.27 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.45 2rpa h LEU 3 Cb 1.21 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 2rpa h LEU 3 CO 0.27 0.02 0.21 -0.61 -0.34 0.00 0.00 178.44 177.99 2rpa h GLN 4 N 0.00 0.40 0.00 1.25 5.75 -1.99 0.36 115.11 120.88 2rpa h GLN 4 Ca 0.00 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 2rpa h GLN 4 Cb 0.93 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.39 2rpa h GLN 4 CO 0.00 0.27 0.11 0.00 -2.65 0.00 0.00 178.83 176.56 2rpa h MET 5 N 0.42 0.00 0.00 1.69 -0.00 -2.00 0.16 114.93 115.20 2rpa h MET 5 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.89 2rpa h MET 5 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.70 2rpa h MET 5 CO -0.14 0.00 -0.46 -0.89 -0.00 0.00 0.00 176.91 175.42 2rpa n ILE 6 N -2.56 0.97 -0.19 -0.10 2.08 -0.03 -4.04 119.36 115.49 2rpa n ILE 6 Ca -0.02 0.29 0.23 0.00 0.56 0.00 0.00 62.75 63.81 2rpa n ILE 6 Cb 0.16 -2.09 0.62 0.00 -0.75 0.00 0.00 39.64 37.57 2rpa n ILE 6 CO 0.00 0.00 0.00 -0.37 0.56 0.00 0.00 176.55 176.74 2rpa h VAL 7 N -0.67 0.63 -0.33 1.39 -1.51 -1.03 0.26 116.25 114.99 2rpa h VAL 7 Ca 0.00 -0.07 -0.05 0.00 -1.23 0.00 0.00 66.70 65.35 2rpa h VAL 7 Cb 0.46 0.42 -0.02 0.00 -2.13 0.00 0.00 31.29 30.02 2rpa h VAL 7 CO 0.00 0.04 -0.00 1.05 -1.23 0.00 0.00 177.57 177.43 2rpa h GLU 8 N 0.20 0.52 -0.47 5.19 -0.00 -1.17 -2.33 114.58 116.52 2rpa h GLU 8 Ca 0.43 -0.11 0.06 0.00 -0.00 0.00 0.00 59.36 59.74 2rpa h GLU 8 Cb 1.38 -0.08 -0.03 0.00 -0.00 0.00 0.00 28.75 30.02 2rpa h GLU 8 CO -0.09 0.54 0.32 -0.91 -0.00 0.00 0.00 179.01 178.87 2rpa h ASN 9 N 0.50 0.34 -0.31 3.06 -0.26 -0.61 -2.19 115.58 116.11 2rpa h ASN 9 Ca 0.11 0.00 0.04 0.00 -0.56 0.00 0.00 56.30 55.88 2rpa h ASN 9 Cb 0.32 -0.07 -0.04 0.00 -1.06 0.00 0.00 38.32 37.48 2rpa h ASN 9 CO 0.01 0.22 0.09 0.58 -1.06 0.00 0.00 177.43 177.28 2rpa h VAL 10 N 0.39 0.89 -0.93 2.81 2.07 -1.46 -1.55 116.25 118.48 2rpa h VAL 10 Ca 0.21 -0.08 0.21 0.00 0.82 0.00 0.00 66.70 67.86 2rpa h VAL 10 Cb 0.32 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 30.67 2rpa h VAL 10 CO -0.05 0.04 0.61 0.11 0.02 0.00 0.00 177.57 178.30 2rpa h LYS 11 N 0.22 0.44 -0.28 1.57 1.79 -1.50 0.39 116.57 119.20 2rpa h LYS 11 Ca 0.14 -0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.48 2rpa h LYS 11 Cb 0.12 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 2rpa h LYS 11 CO -0.16 0.29 -0.22 1.25 -1.08 0.00 0.00 179.45 179.53 2rpa h LEU 12 N 0.45 0.68 -0.02 2.94 7.12 -1.33 -2.79 115.31 122.35 2rpa h LEU 12 Ca 0.50 -0.45 -0.00 0.00 0.13 0.00 0.00 57.88 58.06 2rpa h LEU 12 Cb 1.18 -0.19 -0.00 0.00 -0.53 0.00 0.00 40.66 41.12 2rpa h LEU 12 CO -0.21 0.98 0.01 0.00 -0.13 0.00 0.00 178.44 179.09 2rpa h ALA 13 N 0.72 0.03 -1.00 1.25 0.00 -0.54 -2.75 119.26 116.97 2rpa h ALA 13 Ca 0.05 -0.07 0.15 0.00 0.00 0.00 0.00 54.91 55.03 2rpa h ALA 13 Cb 0.77 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.45 2rpa h ALA 13 CO 0.06 -0.40 0.62 -0.09 0.00 0.00 0.00 179.25 179.44 2rpa h ARG 14 N -0.11 0.88 -0.49 0.00 2.43 -1.15 0.58 114.38 116.52 2rpa h ARG 14 Ca 0.01 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 2rpa h ARG 14 Cb 0.15 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 2rpa h ARG 14 CO -0.00 0.58 0.18 1.49 -1.51 0.00 0.00 179.97 180.71 2rpa h GLU 15 N 0.90 0.70 -0.14 0.20 4.81 -1.25 -2.09 114.58 117.72 2rpa h GLU 15 Ca 0.53 -0.10 -0.10 0.00 -0.13 0.00 0.00 59.36 59.56 2rpa h GLU 15 Cb 0.64 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2rpa h GLU 15 CO -0.31 0.59 -0.34 1.88 -0.73 0.00 0.00 179.01 180.10 2rpa h TYR 16 N 0.69 0.31 -0.53 0.92 -1.99 -0.62 -2.47 116.97 113.29 2rpa h TYR 16 Ca 0.17 -0.07 -0.12 0.00 2.00 0.00 0.00 58.73 60.70 2rpa h TYR 16 Cb 0.16 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 38.80 2rpa h TYR 16 CO 0.01 0.59 -0.15 0.00 -0.00 0.00 0.00 178.16 178.61 2rpa h ALA 17 N 1.41 0.73 0.23 3.88 0.00 -0.85 0.75 119.26 125.41 2rpa h ALA 17 Ca 0.03 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2rpa h ALA 17 Cb 0.72 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2rpa h ALA 17 CO 0.05 0.67 -0.11 -0.07 0.00 0.00 0.00 179.25 179.80 2rpa h LEU 18 N 0.90 -0.26 -0.82 0.00 3.38 -1.31 -3.14 115.31 114.06 2rpa h LEU 18 Ca 0.13 -0.21 0.15 0.00 0.09 0.00 0.00 57.88 58.04 2rpa h LEU 18 Cb 0.72 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.44 2rpa h LEU 18 CO 0.06 0.08 0.39 -0.07 0.09 0.00 0.00 178.44 178.99 2rpa h LEU 19 N -0.63 0.44 0.00 1.67 4.07 -1.48 -3.45 115.31 115.94 2rpa h LEU 19 Ca -0.03 0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.03 2rpa h LEU 19 Cb 0.45 0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.23 2rpa h LEU 19 CO 0.05 0.17 0.00 0.61 -1.08 0.00 0.00 178.44 178.20 2rpa n GLY 20 N -1.32 0.43 3.39 0.83 0.00 -0.93 -5.09 105.19 102.50 2rpa n GLY 20 Ca 0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 2rpa n GLY 20 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2rpa s ASN 21 N 0.00 6.64 -0.07 1.61 3.04 0.26 -4.83 114.94 121.59 2rpa s ASN 21 Ca 0.00 -2.25 -0.11 0.00 0.04 0.00 0.00 52.86 50.55 2rpa s ASN 21 Cb 0.00 -2.31 -0.29 0.00 -1.54 0.00 0.00 41.25 37.11 2rpa s ASN 21 CO 0.00 -0.87 0.58 1.88 -3.04 0.00 0.00 177.10 175.65 2rpa h TYR 22 N 8.43 0.63 -0.97 0.43 -1.99 -1.82 -2.78 116.97 118.90 2rpa h TYR 22 Ca 0.09 -0.46 0.19 0.00 2.00 0.00 0.00 58.73 60.55 2rpa h TYR 22 Cb 1.04 -0.03 -0.11 0.00 2.00 0.00 0.00 36.73 39.63 2rpa h TYR 22 CO 1.08 1.69 0.57 0.22 -0.00 0.00 0.00 178.16 181.72 2rpa h ASP 23 N 0.05 0.71 -0.22 3.88 3.58 -1.93 0.60 116.42 123.09 2rpa h ASP 23 Ca -0.36 0.10 -0.15 0.00 0.42 0.00 0.00 57.03 57.04 2rpa h ASP 23 Cb 2.04 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 43.07 2rpa h ASP 23 CO 0.14 0.23 -0.43 0.28 -2.88 0.00 0.00 179.24 176.59 2rpa h SER 24 N 0.70 0.83 -0.58 2.28 0.02 -1.95 -3.13 113.55 111.72 2rpa h SER 24 Ca 0.57 -0.39 0.05 0.00 -0.84 0.00 0.00 61.79 61.18 2rpa h SER 24 Cb 0.91 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 63.17 2rpa h SER 24 CO -0.40 1.14 0.31 0.00 -1.14 0.00 0.00 176.83 176.74 2rpa h ALA 25 N 0.89 0.75 -0.46 3.77 0.00 -0.97 -1.48 119.26 121.77 2rpa h ALA 25 Ca 0.04 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2rpa h ALA 25 Cb 0.99 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2rpa h ALA 25 CO 0.09 -0.02 0.30 0.52 0.00 0.00 0.00 179.25 180.15 2rpa h MET 26 N 0.59 0.60 -0.23 0.00 2.07 -1.34 -0.65 114.93 115.96 2rpa h MET 26 Ca 0.25 -0.04 0.01 0.00 -2.07 0.00 0.00 59.70 57.85 2rpa h MET 26 Cb 0.14 -0.13 -0.01 0.00 -1.87 0.00 0.00 31.60 29.72 2rpa h MET 26 CO -0.16 0.39 0.15 0.28 1.07 0.00 0.00 176.91 178.64 2rpa h VAL 27 N 0.61 1.05 -0.16 -2.22 2.07 -1.22 -0.23 116.25 116.14 2rpa h VAL 27 Ca 0.17 -0.10 -0.09 0.00 0.82 0.00 0.00 66.70 67.49 2rpa h VAL 27 Cb -0.06 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2rpa h VAL 27 CO -0.04 0.06 -0.26 1.88 0.02 0.00 0.00 177.57 179.23 2rpa h TYR 28 N 0.30 0.58 0.13 1.57 -1.99 -1.24 -3.05 116.97 113.27 2rpa h TYR 28 Ca 0.09 -0.20 0.02 0.00 2.00 0.00 0.00 58.73 60.64 2rpa h TYR 28 Cb -0.02 -0.11 -0.03 0.00 2.00 0.00 0.00 36.73 38.56 2rpa h TYR 28 CO -0.07 0.89 -0.29 1.88 -0.00 0.00 0.00 178.16 180.58 2rpa h TYR 29 N 0.10 -0.77 -0.95 4.88 0.05 -1.01 0.56 116.97 119.83 2rpa h TYR 29 Ca 0.01 0.02 0.21 0.00 0.05 0.00 0.00 58.73 59.02 2rpa h TYR 29 Cb 0.84 0.32 -0.08 0.00 1.01 0.00 0.00 36.73 38.82 2rpa h TYR 29 CO 0.09 -0.39 0.62 0.37 -1.05 0.00 0.00 178.16 177.80 2rpa h GLN 30 N -0.51 0.48 -0.10 4.88 5.75 -1.11 -0.69 115.11 123.81 2rpa h GLN 30 Ca 0.03 -0.03 -0.13 0.00 -0.15 0.00 0.00 58.65 58.37 2rpa h GLN 30 Cb 0.53 -0.11 0.01 0.00 1.07 0.00 0.00 27.48 28.98 2rpa h GLN 30 CO -0.16 0.31 -0.43 0.78 -2.65 0.00 0.00 178.83 176.68 2rpa h GLY 31 N 0.49 0.51 0.96 2.39 0.00 -1.17 -2.42 103.07 103.82 2rpa h GLY 31 Ca 0.51 -0.71 0.01 0.00 0.00 0.00 0.00 47.33 47.15 2rpa h GLY 31 CO -0.24 0.63 0.41 -2.08 0.00 0.00 0.00 176.54 175.26 2rpa h VAL 32 N 0.03 1.13 -0.30 4.60 2.07 0.36 0.13 116.25 124.28 2rpa h VAL 32 Ca -0.03 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 2rpa h VAL 32 Cb 1.08 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2rpa h VAL 32 CO 0.09 0.15 0.05 -0.07 0.02 0.00 0.00 177.57 177.81 2rpa h LEU 33 N 0.83 0.47 0.14 2.57 3.38 -1.24 0.28 115.31 121.74 2rpa h LEU 33 Ca 0.24 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2rpa h LEU 33 Cb -0.06 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.57 2rpa h LEU 33 CO -0.07 0.61 -0.07 0.44 0.09 0.00 0.00 178.44 179.45 2rpa h ASP 34 N 0.31 -0.16 -0.71 -0.43 5.19 -1.14 -1.98 116.42 117.51 2rpa h ASP 34 Ca 0.09 -0.10 -0.06 0.00 -0.62 0.00 0.00 57.03 56.34 2rpa h ASP 34 Cb 0.34 0.04 -0.03 0.00 0.18 0.00 0.00 39.33 39.86 2rpa h ASP 34 CO 0.01 -0.00 0.20 1.56 -3.12 0.00 0.00 179.24 177.89 2rpa h GLN 35 N -0.31 1.11 -0.18 3.56 1.08 -0.74 -2.89 115.11 116.74 2rpa h GLN 35 Ca -0.02 -0.25 0.04 0.00 -1.45 0.00 0.00 58.65 56.97 2rpa h GLN 35 Cb 0.24 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.48 2rpa h GLN 35 CO 0.03 0.96 -0.08 0.52 -0.95 0.00 0.00 178.83 179.32 2rpa h MET 36 N 1.05 -0.05 -0.22 1.46 2.86 -0.31 -2.36 114.93 117.36 2rpa h MET 36 Ca 0.23 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.92 2rpa h MET 36 Cb 0.33 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.95 2rpa h MET 36 CO -0.00 -0.03 -0.11 -0.91 1.06 0.00 0.00 176.91 176.91 2rpa h ASN 37 N -0.05 -0.37 -0.81 1.22 2.35 -1.23 -0.25 115.58 116.43 2rpa h ASN 37 Ca 0.10 0.09 0.22 0.00 -0.55 0.00 0.00 56.30 56.15 2rpa h ASN 37 Cb 0.20 0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.73 2rpa h ASN 37 CO -0.22 -0.15 0.57 0.11 -1.65 0.00 0.00 177.43 176.09 2rpa h LYS 38 N -0.09 0.13 -0.05 0.81 1.57 -1.26 0.18 116.57 117.86 2rpa h LYS 38 Ca 0.12 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 2rpa h LYS 38 Cb 0.27 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2rpa h LYS 38 CO -0.27 0.09 -0.17 -0.92 -0.57 0.00 0.00 179.45 177.60 2rpa h TYR 39 N 0.13 0.27 -0.26 -1.35 3.20 -0.56 -2.38 116.97 116.02 2rpa h TYR 39 Ca 0.40 -0.11 -0.07 0.00 3.14 0.00 0.00 58.73 62.09 2rpa h TYR 39 Cb 1.37 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.58 2rpa h TYR 39 CO -0.00 0.79 -0.15 -0.07 -1.64 0.00 0.00 178.16 177.09 2rpa h LEU 40 N -0.33 0.43 -0.47 2.82 3.38 -0.37 -0.92 115.31 119.84 2rpa h LEU 40 Ca -0.01 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2rpa h LEU 40 Cb 0.80 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2rpa h LEU 40 CO 0.04 0.61 0.00 0.22 0.09 0.00 0.00 178.44 179.40 2rpa h TYR 41 N 0.41 0.00 0.11 1.13 5.03 -0.74 -3.20 116.97 119.70 2rpa h TYR 41 Ca 0.07 0.00 -0.36 0.00 2.58 0.00 0.00 58.73 61.02 2rpa h TYR 41 Cb 0.51 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.77 2rpa h TYR 41 CO 0.01 0.00 -2.00 0.43 -1.32 0.00 0.00 178.16 175.29 2rpa n SER 42 N -2.60 2.00 -4.71 -2.11 7.64 -0.77 -4.88 113.62 108.19 2rpa n SER 42 Ca 0.03 0.21 -0.42 0.00 1.01 0.00 0.00 58.87 59.70 2rpa n SER 42 Cb 0.37 -0.77 -0.03 0.00 -1.01 0.00 0.00 64.21 62.78 2rpa n SER 42 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2rpa s VAL 43 N -2.56 3.91 0.04 0.44 0.11 -0.42 -4.94 120.40 116.98 2rpa s VAL 43 Ca -0.21 1.34 -0.17 0.00 -2.93 0.00 0.00 61.98 60.01 2rpa s VAL 43 Cb 0.07 -3.86 -0.22 0.00 -1.53 0.00 0.00 36.38 30.83 2rpa s VAL 43 CO 0.77 0.07 1.16 0.11 -3.33 0.00 0.00 175.10 173.88 2rpa h LYS 44 N 7.07 0.58 -5.13 1.54 1.79 -1.90 -3.43 116.57 117.08 2rpa h LYS 44 Ca -0.40 -0.59 -0.24 0.00 -2.18 0.00 0.00 60.65 57.23 2rpa h LYS 44 Cb 1.20 0.16 -0.07 0.00 -1.58 0.00 0.00 32.23 31.94 2rpa h LYS 44 CO 0.84 1.21 1.31 -0.25 -1.08 0.00 0.00 179.45 181.49 2rpa n ASP 45 N -4.04 -0.17 -0.33 0.86 8.00 -1.26 -4.70 116.55 114.91 2rpa n ASP 45 Ca -0.10 -0.85 0.31 0.00 0.71 0.00 0.00 54.79 54.86 2rpa n ASP 45 Cb 0.76 -0.97 0.65 0.00 -0.02 0.00 0.00 41.12 41.55 2rpa n ASP 45 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2rpa h THR 46 N 7.30 0.44 -0.24 -3.53 1.03 -1.97 0.65 112.91 116.59 2rpa h THR 46 Ca 0.02 -0.05 -0.13 0.00 -0.01 0.00 0.00 66.41 66.23 2rpa h THR 46 Cb 1.10 0.27 -0.01 0.00 -1.07 0.00 0.00 68.15 68.43 2rpa h THR 46 CO 1.39 0.03 -0.40 0.45 -0.01 0.00 0.00 175.52 176.97 2rpa h HIS 47 N 0.16 0.66 -0.13 0.00 3.86 -1.97 0.28 115.15 118.01 2rpa h HIS 47 Ca 0.59 -0.19 -0.12 0.00 -1.16 0.00 0.00 60.37 59.48 2rpa h HIS 47 Cb 1.99 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 30.32 2rpa h HIS 47 CO -0.00 0.88 -0.41 1.25 0.86 0.00 0.00 177.93 180.51 2rpa h LEU 48 N 0.46 0.58 -0.01 2.43 6.46 -0.11 -2.25 115.31 122.87 2rpa h LEU 48 Ca 0.04 -0.60 -0.01 0.00 -0.12 0.00 0.00 57.88 57.19 2rpa h LEU 48 Cb 0.90 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.67 2rpa h LEU 48 CO 0.08 1.08 -0.02 0.08 -0.62 0.00 0.00 178.44 179.04 2rpa h ARG 49 N 0.11 0.03 -0.96 1.25 0.11 -1.21 -2.98 114.38 110.72 2rpa h ARG 49 Ca -0.01 -0.02 0.10 0.00 0.10 0.00 0.00 59.98 60.15 2rpa h ARG 49 Cb 1.03 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 32.04 2rpa h ARG 49 CO 0.09 0.65 0.61 -0.56 0.10 0.00 0.00 179.97 180.86 2rpa h GLN 50 N -0.59 0.94 -0.01 0.08 -0.00 -0.55 0.22 115.11 115.20 2rpa h GLN 50 Ca -0.00 -0.06 -0.00 0.00 -0.00 0.00 0.00 58.65 58.59 2rpa h GLN 50 Cb 0.65 -0.21 -0.00 0.00 -0.00 0.00 0.00 27.48 27.92 2rpa h GLN 50 CO 0.00 0.62 0.01 -0.22 -0.00 0.00 0.00 178.83 179.25 2rpa h LYS 51 N 0.97 0.02 -0.19 0.06 1.63 -1.43 -2.74 116.57 114.89 2rpa h LYS 51 Ca 0.46 -0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 60.15 2rpa h LYS 51 Cb 0.42 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.04 2rpa h LYS 51 CO -0.22 0.06 -0.34 -1.49 -3.45 0.00 0.00 179.45 174.01 2rpa h TRP 52 N -0.02 0.47 -0.46 1.91 -0.00 -1.23 -2.78 115.95 113.84 2rpa h TRP 52 Ca 0.01 -0.12 0.13 0.00 -0.00 0.00 0.00 58.89 58.91 2rpa h TRP 52 Cb 0.04 -0.11 -0.02 0.00 -0.00 0.00 0.00 29.16 29.07 2rpa h TRP 52 CO -0.06 0.71 0.33 0.37 -0.00 0.00 0.00 178.44 179.78 2rpa h GLN 53 N 0.35 0.02 -0.34 0.49 4.15 -0.29 0.10 115.11 119.58 2rpa h GLN 53 Ca 0.04 -0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.31 2rpa h GLN 53 Cb 0.77 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.45 2rpa h GLN 53 CO 0.06 0.01 -0.40 0.37 -1.93 0.00 0.00 178.83 176.94 2rpa h GLN 54 N 0.02 0.82 -0.10 1.69 5.75 -1.28 -3.17 115.11 118.84 2rpa h GLN 54 Ca 0.22 -0.44 -0.22 0.00 -0.15 0.00 0.00 58.65 58.06 2rpa h GLN 54 Cb 0.84 0.02 0.01 0.00 1.07 0.00 0.00 27.48 29.42 2rpa h GLN 54 CO -0.01 1.07 -0.80 0.28 -2.65 0.00 0.00 178.83 176.73 2rpa h VAL 55 N 0.67 1.32 -0.65 2.39 2.07 -1.13 -3.14 116.25 117.79 2rpa h VAL 55 Ca 0.05 -2.09 0.18 0.00 0.82 0.00 0.00 66.70 65.66 2rpa h VAL 55 Cb 0.97 2.09 -0.03 0.00 -1.52 0.00 0.00 31.29 32.81 2rpa h VAL 55 CO 0.09 0.65 0.46 -0.25 0.02 0.00 0.00 177.57 178.54 2rpa h TRP 56 N 0.42 0.08 0.20 1.57 7.01 -1.12 -0.45 115.95 123.67 2rpa h TRP 56 Ca -0.05 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.94 2rpa h TRP 56 Cb 1.42 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 28.45 2rpa h TRP 56 CO 0.07 0.03 -0.10 1.96 -2.79 0.00 0.00 178.44 177.62 2rpa h GLN 57 N 0.07 -0.26 -0.47 2.65 4.20 -1.52 -2.26 115.11 117.52 2rpa h GLN 57 Ca 0.31 0.02 -0.13 0.00 0.06 0.00 0.00 58.65 58.91 2rpa h GLN 57 Cb 1.14 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.96 2rpa h GLN 57 CO -0.02 -0.10 -0.22 1.05 -0.67 0.00 0.00 178.83 178.87 2rpa h GLU 58 N -0.37 0.97 -0.85 1.46 4.11 -1.42 -2.92 114.58 115.56 2rpa h GLU 58 Ca -0.03 -0.41 0.14 0.00 0.07 0.00 0.00 59.36 59.13 2rpa h GLU 58 Cb 0.28 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.44 2rpa h GLU 58 CO 0.05 1.08 0.55 0.82 0.07 0.00 0.00 179.01 181.58 2rpa h ILE 59 N 0.84 0.85 0.00 -1.06 2.04 -1.03 0.98 117.51 120.12 2rpa h ILE 59 Ca 0.11 -0.22 -0.14 0.00 1.00 0.00 0.00 64.86 65.61 2rpa h ILE 59 Cb 0.79 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 2rpa h ILE 59 CO 0.07 0.12 -0.67 -1.13 0.00 0.00 0.00 178.15 176.53 2rpa h ASN 60 N 0.65 0.00 -0.06 1.72 -1.24 -1.22 -3.18 115.58 112.24 2rpa h ASN 60 Ca 0.42 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.40 2rpa h ASN 60 Cb 0.70 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.75 2rpa h ASN 60 CO -0.18 0.67 -0.06 0.58 -1.29 0.00 0.00 177.43 177.15 2rpa h VAL 61 N 0.00 1.37 -0.27 2.57 2.07 -0.71 -1.97 116.25 119.32 2rpa h VAL 61 Ca -0.01 -1.21 0.06 0.00 0.82 0.00 0.00 66.70 66.36 2rpa h VAL 61 Cb 1.19 2.04 -0.07 0.00 -1.52 0.00 0.00 31.29 32.93 2rpa h VAL 61 CO 0.09 0.33 -0.23 -0.33 0.02 0.00 0.00 177.57 177.45 2rpa h GLU 62 N -0.28 -0.21 -0.09 1.57 4.39 -1.30 0.79 114.58 119.45 2rpa h GLU 62 Ca 0.01 0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 2rpa h GLU 62 Cb 0.57 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 2rpa h GLU 62 CO 0.02 -0.14 -0.16 0.00 -1.16 0.00 0.00 179.01 177.57 2rpa h ALA 63 N 0.86 1.56 -0.15 3.43 0.00 -1.60 -2.57 119.26 120.79 2rpa h ALA 63 Ca 0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2rpa h ALA 63 Cb 0.45 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2rpa h ALA 63 CO -0.40 0.32 0.01 -0.22 0.00 0.00 0.00 179.25 178.96 2rpa h LYS 64 N 0.14 0.25 -0.66 0.00 1.63 -0.24 -3.00 116.57 114.70 2rpa h LYS 64 Ca 0.03 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 2rpa h LYS 64 Cb 0.37 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.94 2rpa h LYS 64 CO 0.02 0.47 0.37 1.96 -3.45 0.00 0.00 179.45 178.82 2rpa h GLN 65 N 0.00 0.90 -0.84 1.90 1.08 -0.71 -2.16 115.11 115.28 2rpa h GLN 65 Ca 0.04 -0.09 0.11 0.00 -1.45 0.00 0.00 58.65 57.26 2rpa h GLN 65 Cb 0.35 -0.18 -0.06 0.00 -0.05 0.00 0.00 27.48 27.54 2rpa h GLN 65 CO 0.01 0.66 0.54 0.28 -0.95 0.00 0.00 178.83 179.37 2rpa h VAL 66 N 0.91 0.91 -0.51 -0.54 2.07 -1.33 0.12 116.25 117.89 2rpa h VAL 66 Ca 0.23 -0.25 0.08 0.00 0.82 0.00 0.00 66.70 67.58 2rpa h VAL 66 Cb 0.01 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 29.87 2rpa h VAL 66 CO -0.04 0.13 0.34 0.50 0.02 0.00 0.00 177.57 178.53 2rpa h LYS 67 N 0.73 0.34 0.00 1.57 3.64 -1.32 -0.98 116.57 120.55 2rpa h LYS 67 Ca 0.40 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.76 2rpa h LYS 67 Cb 0.53 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2rpa h LYS 67 CO -0.16 0.23 -0.04 0.22 -2.27 0.00 0.00 179.45 177.42 2rpa h ASP 68 N 0.35 0.00 -0.50 4.20 1.82 -1.09 -3.31 116.42 117.90 2rpa h ASP 68 Ca 0.23 -0.07 0.14 0.00 -0.39 0.00 0.00 57.03 56.95 2rpa h ASP 68 Cb 0.45 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.44 2rpa h ASP 68 CO -0.06 0.56 0.67 0.16 -1.61 0.00 0.00 179.24 178.96 2rpa h ILE 69 N -1.00 0.19 -2.94 2.25 3.07 -1.26 -3.40 117.51 114.42 2rpa h ILE 69 Ca -0.00 0.00 -0.46 0.00 1.55 0.00 0.00 64.86 65.95 2rpa h ILE 69 Cb 0.11 0.44 0.04 0.00 -0.27 0.00 0.00 36.82 37.14 2rpa h ILE 69 CO -0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 178.15 177.09 2rpa s MET 70 N -4.46 2.90 -0.30 0.16 0.23 -0.38 -5.09 119.30 112.36 2rpa s MET 70 Ca -0.03 -0.43 -0.11 0.00 -1.03 0.00 0.00 55.69 54.09 2rpa s MET 70 Cb 0.13 -2.47 0.13 0.00 -1.53 0.00 0.00 34.83 31.09 2rpa s MET 70 CO 0.45 -0.49 0.67 0.21 -2.03 0.00 0.00 175.02 173.84 2rpa s LYS 71 N -4.72 0.57 0.00 3.16 2.36 -1.26 -4.93 119.74 114.92 2rpa s LYS 71 Ca 0.52 1.41 0.00 0.00 -2.55 0.00 0.00 55.97 55.34 2rpa s LYS 71 Cb -0.10 0.81 0.00 0.00 -1.05 0.00 0.00 37.83 37.49 2rpa s LYS 71 CO 0.40 -0.19 0.30 0.25 1.55 0.00 0.00 175.35 177.65