#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpa s ASP -4 N 0.00 4.00 1.00 -3.46 2.15 -1.26 -5.11 116.67 113.98 2rpa s ASP -4 Ca 0.00 -2.63 -0.19 0.00 0.43 0.00 0.00 52.55 50.16 2rpa s ASP -4 Cb 0.00 -1.27 -0.12 0.00 -0.30 0.00 0.00 42.92 41.23 2rpa s ASP -4 CO 0.00 -0.28 -0.76 1.41 -0.17 0.00 0.00 175.17 175.37 2rpa n HIS -3 N 3.57 -3.70 -0.26 -5.34 8.25 -1.26 -4.92 115.22 111.56 2rpa n HIS -3 Ca 0.06 0.16 -0.23 0.00 -0.26 0.00 0.00 57.72 57.45 2rpa n HIS -3 Cb 0.35 -1.47 0.21 0.00 1.12 0.00 0.00 29.99 30.20 2rpa n HIS -3 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2rpa n MET -2 N 1.69 -3.97 -3.64 -0.41 2.81 -1.26 -5.08 117.12 107.27 2rpa n MET -2 Ca -0.01 -1.11 -0.06 0.00 -1.81 0.00 0.00 57.70 54.72 2rpa n MET -2 Cb 0.60 -1.38 -0.07 0.00 -0.71 0.00 0.00 33.22 31.66 2rpa n MET -2 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 2rpa s THR -1 N -1.89 0.00 -0.10 2.03 -1.32 -1.26 -5.14 115.64 107.96 2rpa s THR -1 Ca 0.50 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.68 2rpa s THR -1 Cb -0.08 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.88 2rpa s THR -1 CO 0.41 0.00 1.23 -0.04 -2.21 0.00 0.00 174.62 174.01 2rpa s MET 1 N -0.06 4.30 -0.16 7.08 -1.94 -1.26 -4.90 119.30 122.36 2rpa s MET 1 Ca 0.05 1.67 0.01 0.00 -1.71 0.00 0.00 55.69 55.72 2rpa s MET 1 Cb -0.04 -3.64 0.22 0.00 2.01 0.00 0.00 34.83 33.37 2rpa s MET 1 CO -0.10 -0.56 1.40 0.43 -0.01 0.00 0.00 175.02 176.18 2rpa n SER 2 N 5.77 3.61 0.03 3.03 7.64 -1.26 -4.00 113.62 128.44 2rpa n SER 2 Ca 0.12 -2.58 -0.20 0.00 1.01 0.00 0.00 58.87 57.22 2rpa n SER 2 Cb 0.46 -0.67 -0.14 0.00 -1.01 0.00 0.00 64.21 62.84 2rpa n SER 2 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2rpa h LEU 3 N 1.20 0.42 -0.72 -3.43 3.38 -2.01 -3.37 115.31 110.79 2rpa h LEU 3 Ca 0.21 -0.79 0.16 0.00 0.09 0.00 0.00 57.88 57.56 2rpa h LEU 3 Cb 1.55 -0.14 -0.12 0.00 0.09 0.00 0.00 40.66 42.04 2rpa h LEU 3 CO 0.39 1.69 0.02 -0.61 0.09 0.00 0.00 178.44 180.03 2rpa h GLN 4 N 0.07 0.12 -0.06 1.13 5.75 -1.99 0.93 115.11 121.06 2rpa h GLN 4 Ca -0.36 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.15 2rpa h GLN 4 Cb 2.05 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 30.57 2rpa h GLN 4 CO 0.12 0.08 0.09 0.52 -2.65 0.00 0.00 178.83 176.99 2rpa h MET 5 N 0.12 0.00 0.00 1.69 2.86 -1.87 0.37 114.93 118.10 2rpa h MET 5 Ca 0.39 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.03 2rpa h MET 5 Cb 0.67 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.33 2rpa h MET 5 CO -0.61 0.00 -0.20 0.82 1.06 0.00 0.00 176.91 177.98 2rpa h ILE 6 N 0.00 0.00 -1.00 -1.22 1.08 0.58 -3.31 117.51 113.64 2rpa h ILE 6 Ca 0.03 -0.51 0.28 0.00 -0.39 0.00 0.00 64.86 64.27 2rpa h ILE 6 Cb 0.21 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 33.90 2rpa h ILE 6 CO -0.00 0.00 0.70 -0.37 -0.69 0.00 0.00 178.15 177.79 2rpa h VAL 7 N -0.51 0.52 -0.06 1.67 -1.51 -0.80 0.59 116.25 116.15 2rpa h VAL 7 Ca 0.00 -0.05 -0.08 0.00 -1.23 0.00 0.00 66.70 65.34 2rpa h VAL 7 Cb 0.20 0.37 -0.01 0.00 -2.13 0.00 0.00 31.29 29.72 2rpa h VAL 7 CO 0.00 0.03 -0.33 1.05 -1.23 0.00 0.00 177.57 177.09 2rpa h GLU 8 N 0.14 0.11 -0.34 5.19 4.11 -1.09 -2.64 114.58 120.06 2rpa h GLU 8 Ca 0.50 -0.04 0.06 0.00 0.07 0.00 0.00 59.36 59.96 2rpa h GLU 8 Cb 1.74 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.97 2rpa h GLU 8 CO -0.09 0.43 0.23 -0.91 0.07 0.00 0.00 179.01 178.74 2rpa h ASN 9 N 0.10 0.16 -0.02 3.06 -0.26 0.11 -2.26 115.58 116.48 2rpa h ASN 9 Ca 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 2rpa h ASN 9 Cb 0.63 -0.04 -0.00 0.00 -1.06 0.00 0.00 38.32 37.86 2rpa h ASN 9 CO 0.05 0.11 0.01 0.58 -1.06 0.00 0.00 177.43 177.11 2rpa h VAL 10 N 0.19 1.01 -1.06 2.81 2.07 -1.52 -2.05 116.25 117.69 2rpa h VAL 10 Ca 0.15 -0.02 0.30 0.00 0.82 0.00 0.00 66.70 67.96 2rpa h VAL 10 Cb 0.36 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 2rpa h VAL 10 CO -0.02 0.01 0.76 0.11 0.02 0.00 0.00 177.57 178.44 2rpa h LYS 11 N 0.02 0.05 -0.03 1.57 1.79 -1.53 0.66 116.57 119.09 2rpa h LYS 11 Ca 0.01 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2rpa h LYS 11 Cb 0.00 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.64 2rpa h LYS 11 CO -0.00 0.03 -0.03 1.25 -1.08 0.00 0.00 179.45 179.62 2rpa h LEU 12 N 0.05 0.09 -0.09 2.94 7.12 -1.41 -2.81 115.31 121.19 2rpa h LEU 12 Ca 0.52 -0.50 0.01 0.00 0.13 0.00 0.00 57.88 58.03 2rpa h LEU 12 Cb 1.97 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 42.07 2rpa h LEU 12 CO -0.04 0.57 0.04 0.00 -0.13 0.00 0.00 178.44 178.88 2rpa h ALA 13 N 0.52 0.10 -0.93 1.25 0.00 -0.75 -2.51 119.26 116.95 2rpa h ALA 13 Ca 0.00 0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.07 2rpa h ALA 13 Cb 0.54 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.23 2rpa h ALA 13 CO 0.01 -0.42 0.53 -0.09 0.00 0.00 0.00 179.25 179.28 2rpa h ARG 14 N 0.09 0.74 -0.68 0.00 2.43 -1.32 0.96 114.38 116.60 2rpa h ARG 14 Ca 0.04 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.22 2rpa h ARG 14 Cb 0.01 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.35 2rpa h ARG 14 CO -0.03 0.49 0.45 1.49 -1.51 0.00 0.00 179.97 180.85 2rpa h GLU 15 N 0.76 0.68 -0.17 0.20 4.81 -1.17 -1.81 114.58 117.88 2rpa h GLU 15 Ca 0.50 -0.04 -0.21 0.00 -0.13 0.00 0.00 59.36 59.48 2rpa h GLU 15 Cb 0.67 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.90 2rpa h GLU 15 CO -0.34 0.45 -0.73 1.88 -0.73 0.00 0.00 179.01 179.55 2rpa h TYR 16 N 0.70 1.01 -0.95 0.92 -1.99 -0.69 -2.85 116.97 113.12 2rpa h TYR 16 Ca 0.29 -0.43 0.08 0.00 2.00 0.00 0.00 58.73 60.67 2rpa h TYR 16 Cb 0.25 -0.16 -0.07 0.00 2.00 0.00 0.00 36.73 38.74 2rpa h TYR 16 CO -0.00 1.25 0.60 0.00 -0.00 0.00 0.00 178.16 180.01 2rpa h ALA 17 N 0.64 1.35 0.15 3.88 0.00 -0.54 0.31 119.26 125.06 2rpa h ALA 17 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2rpa h ALA 17 Cb 1.35 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2rpa h ALA 17 CO 0.15 0.33 -0.07 -0.07 0.00 0.00 0.00 179.25 179.58 2rpa h LEU 18 N 1.06 -0.17 -1.05 0.00 3.38 -1.45 -3.16 115.31 113.91 2rpa h LEU 18 Ca 0.43 -0.31 0.19 0.00 0.09 0.00 0.00 57.88 58.28 2rpa h LEU 18 Cb 0.25 0.05 -0.10 0.00 0.09 0.00 0.00 40.66 40.94 2rpa h LEU 18 CO -0.20 0.25 0.61 -0.07 0.09 0.00 0.00 178.44 179.12 2rpa h LEU 19 N -0.64 0.76 0.00 1.67 4.07 -1.24 -3.45 115.31 116.48 2rpa h LEU 19 Ca -0.02 0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.03 2rpa h LEU 19 Cb 0.47 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.17 2rpa h LEU 19 CO 0.03 0.27 0.00 0.61 -1.08 0.00 0.00 178.44 178.27 2rpa n GLY 20 N -1.34 -0.11 3.32 0.83 0.00 -0.49 -5.08 105.19 102.32 2rpa n GLY 20 Ca 0.23 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.03 6.96 0.01 1.61 3.04 0.98 -4.83 114.94 122.67 2rpa s ASN 21 Ca 0.00 -3.15 -0.08 0.00 0.04 0.00 0.00 52.86 49.66 2rpa s ASN 21 Cb 0.00 -2.19 -0.31 0.00 -1.54 0.00 0.00 41.25 37.22 2rpa s ASN 21 CO 0.00 -0.42 0.89 1.88 -3.04 0.00 0.00 177.10 176.41 2rpa h TYR 22 N 7.18 0.66 -0.81 0.43 -1.99 -1.81 -3.06 116.97 117.56 2rpa h TYR 22 Ca 0.14 -0.48 0.10 0.00 2.00 0.00 0.00 58.73 60.50 2rpa h TYR 22 Cb 0.95 -0.03 -0.06 0.00 2.00 0.00 0.00 36.73 39.60 2rpa h TYR 22 CO 0.89 1.48 0.53 0.22 -0.00 0.00 0.00 178.16 181.28 2rpa h ASP 23 N 0.10 0.65 0.69 3.88 3.58 -1.95 0.49 116.42 123.87 2rpa h ASP 23 Ca -0.26 0.02 -0.11 0.00 0.42 0.00 0.00 57.03 57.11 2rpa h ASP 23 Cb 2.07 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 42.99 2rpa h ASP 23 CO 0.20 0.38 -0.52 -1.28 -2.88 0.00 0.00 179.24 175.14 2rpa h SER 24 N 0.72 0.00 0.32 2.28 0.87 -1.97 -3.06 113.55 112.71 2rpa h SER 24 Ca 0.38 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.75 2rpa h SER 24 Cb 0.50 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 2rpa h SER 24 CO -0.15 0.52 -0.76 0.00 -0.53 0.00 0.00 176.83 175.92 2rpa h ALA 25 N 1.48 0.59 0.39 6.23 0.00 -1.00 -3.19 119.26 123.75 2rpa h ALA 25 Ca -0.01 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 2rpa h ALA 25 Cb 1.01 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2rpa h ALA 25 CO 0.07 0.79 -0.30 0.52 0.00 0.00 0.00 179.25 180.32 2rpa h MET 26 N 0.24 -0.66 -0.97 0.00 2.07 -1.19 0.21 114.93 114.63 2rpa h MET 26 Ca -0.03 0.05 0.16 0.00 -2.07 0.00 0.00 59.70 57.80 2rpa h MET 26 Cb 1.34 0.15 -0.09 0.00 -1.87 0.00 0.00 31.60 31.13 2rpa h MET 26 CO 0.13 -0.44 0.61 -0.39 1.07 0.00 0.00 176.91 177.89 2rpa h VAL 27 N -0.69 0.79 -0.03 -2.22 -1.51 -1.63 -0.30 116.25 110.66 2rpa h VAL 27 Ca -0.03 -0.26 -0.01 0.00 -1.23 0.00 0.00 66.70 65.16 2rpa h VAL 27 Cb 0.59 -0.05 -0.00 0.00 -2.13 0.00 0.00 31.29 29.71 2rpa h VAL 27 CO -0.00 0.14 -0.04 1.88 -1.23 0.00 0.00 177.57 178.32 2rpa h TYR 28 N 0.77 0.10 -0.35 5.19 -1.99 -1.42 -2.70 116.97 116.57 2rpa h TYR 28 Ca 0.51 -0.03 0.06 0.00 2.00 0.00 0.00 58.73 61.27 2rpa h TYR 28 Cb 0.78 -0.02 -0.05 0.00 2.00 0.00 0.00 36.73 39.44 2rpa h TYR 28 CO -0.00 0.57 0.03 1.88 -0.00 0.00 0.00 178.16 180.63 2rpa h TYR 29 N -0.39 0.04 -0.79 4.88 0.05 0.23 -0.91 116.97 120.07 2rpa h TYR 29 Ca 0.00 0.02 0.06 0.00 0.05 0.00 0.00 58.73 58.87 2rpa h TYR 29 Cb 0.55 0.04 -0.06 0.00 1.01 0.00 0.00 36.73 38.27 2rpa h TYR 29 CO 0.10 -0.03 0.48 0.37 -1.05 0.00 0.00 178.16 178.03 2rpa h GLN 30 N 0.14 0.85 -0.21 4.88 -0.00 -1.13 -2.15 115.11 117.48 2rpa h GLN 30 Ca 0.17 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 58.76 2rpa h GLN 30 Cb 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 27.48 27.50 2rpa h GLN 30 CO -0.26 0.56 0.08 0.78 0.00 0.00 0.00 178.83 180.00 2rpa h GLY 31 N 0.87 0.34 0.49 2.39 0.00 -0.99 -1.92 103.07 104.26 2rpa h GLY 31 Ca 0.35 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.50 2rpa h GLY 31 CO -0.17 0.18 -0.32 -2.08 0.00 0.00 0.00 176.54 174.14 2rpa h VAL 32 N 0.19 0.32 -0.68 4.60 2.07 -0.81 0.26 116.25 122.21 2rpa h VAL 32 Ca 0.07 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.68 2rpa h VAL 32 Cb 0.18 0.32 -0.07 0.00 -1.52 0.00 0.00 31.29 30.20 2rpa h VAL 32 CO -0.01 0.00 0.32 -0.07 0.02 0.00 0.00 177.57 177.83 2rpa h LEU 33 N -0.58 0.40 -0.46 2.57 3.38 -1.39 0.41 115.31 119.64 2rpa h LEU 33 Ca 0.02 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2rpa h LEU 33 Cb 0.59 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2rpa h LEU 33 CO -0.16 0.23 0.19 0.44 0.09 0.00 0.00 178.44 179.23 2rpa h ASP 34 N 0.55 0.63 0.29 -0.43 5.19 -0.85 -1.99 116.42 119.81 2rpa h ASP 34 Ca 0.33 -0.16 -0.10 0.00 -0.62 0.00 0.00 57.03 56.48 2rpa h ASP 34 Cb 0.36 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.69 2rpa h ASP 34 CO -0.27 0.62 -0.41 1.56 -3.12 0.00 0.00 179.24 177.62 2rpa h GLN 35 N 0.60 0.16 0.06 3.56 1.08 0.37 -2.96 115.11 117.99 2rpa h GLN 35 Ca 0.15 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 57.28 2rpa h GLN 35 Cb 0.19 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 2rpa h GLN 35 CO -0.01 0.55 -0.03 0.52 -0.95 0.00 0.00 178.83 178.90 2rpa h MET 36 N 0.14 -0.08 -0.31 1.46 2.86 0.15 -2.89 114.93 116.26 2rpa h MET 36 Ca 0.01 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.72 2rpa h MET 36 Cb 0.78 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.41 2rpa h MET 36 CO 0.06 0.18 -0.06 -0.91 1.06 0.00 0.00 176.91 177.24 2rpa h ASN 37 N -0.35 -0.24 -0.89 1.22 2.35 -1.33 -0.46 115.58 115.88 2rpa h ASN 37 Ca -0.01 0.09 0.21 0.00 -0.55 0.00 0.00 56.30 56.03 2rpa h ASN 37 Cb 0.30 0.17 -0.06 0.00 0.05 0.00 0.00 38.32 38.78 2rpa h ASN 37 CO 0.01 -0.08 0.59 0.11 -1.65 0.00 0.00 177.43 176.42 2rpa h LYS 38 N 0.02 0.36 0.19 0.81 1.57 -1.50 -0.06 116.57 117.96 2rpa h LYS 38 Ca 0.15 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2rpa h LYS 38 Cb 0.22 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2rpa h LYS 38 CO -0.30 0.24 -0.09 -0.92 -0.57 0.00 0.00 179.45 177.81 2rpa h TYR 39 N 0.37 -0.23 -0.83 -1.35 5.03 -0.89 -2.90 116.97 116.17 2rpa h TYR 39 Ca 0.46 -0.01 0.11 0.00 2.58 0.00 0.00 58.73 61.88 2rpa h TYR 39 Cb 1.20 0.08 -0.06 0.00 1.55 0.00 0.00 36.73 39.50 2rpa h TYR 39 CO -0.00 0.18 0.54 -0.07 -1.32 0.00 0.00 178.16 177.49 2rpa h LEU 40 N -0.78 0.66 -1.56 2.82 3.38 -0.53 0.98 115.31 120.29 2rpa h LEU 40 Ca -0.03 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2rpa h LEU 40 Cb 0.52 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2rpa h LEU 40 CO 0.04 0.38 -0.23 0.22 0.09 0.00 0.00 178.44 178.93 2rpa h TYR 41 N 0.72 0.00 -0.27 1.13 5.03 -1.04 -1.43 116.97 121.11 2rpa h TYR 41 Ca 0.39 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.70 2rpa h TYR 41 Cb 0.53 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.81 2rpa h TYR 41 CO -0.00 0.23 0.00 -1.13 -1.32 0.00 0.00 178.16 175.94 2rpa n SER 42 N -4.02 1.73 -4.88 -2.11 3.41 0.31 -4.90 113.62 103.16 2rpa n SER 42 Ca -0.02 -1.88 -0.30 0.00 -0.26 0.00 0.00 58.87 56.41 2rpa n SER 42 Cb 0.31 -0.18 -0.01 0.00 -0.26 0.00 0.00 64.21 64.07 2rpa n SER 42 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2rpa s VAL 43 N -1.64 4.75 -0.10 -3.33 1.01 -0.54 -5.01 120.40 115.54 2rpa s VAL 43 Ca 0.27 0.69 0.08 0.00 0.00 0.00 0.00 61.98 63.02 2rpa s VAL 43 Cb 0.14 -3.82 -0.12 0.00 0.00 0.00 0.00 36.38 32.58 2rpa s VAL 43 CO 0.20 -0.86 0.02 0.29 0.00 0.00 0.00 175.10 174.75 2rpa n LYS 44 N -2.13 2.20 -3.08 2.72 4.01 -1.26 -4.91 118.16 115.71 2rpa n LYS 44 Ca 0.04 0.00 -0.43 0.00 -0.51 0.00 0.00 58.31 57.41 2rpa n LYS 44 Cb 0.54 -1.26 -0.06 0.00 -0.51 0.00 0.00 35.03 33.74 2rpa n LYS 44 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2rpa s ASP 45 N -4.32 6.29 0.37 4.39 1.01 -1.26 -4.92 116.67 118.23 2rpa s ASP 45 Ca -0.06 -0.55 0.13 0.00 0.71 0.00 0.00 52.55 52.79 2rpa s ASP 45 Cb 0.03 -2.33 0.94 0.00 1.01 0.00 0.00 42.92 42.58 2rpa s ASP 45 CO 0.41 -0.89 1.83 0.71 0.21 0.00 0.00 175.17 177.43 2rpa h THR 46 N 5.90 0.70 0.00 -1.27 1.35 -1.98 0.37 112.91 117.98 2rpa h THR 46 Ca -0.26 -0.19 -0.08 0.00 -0.55 0.00 0.00 66.41 65.33 2rpa h THR 46 Cb 1.09 0.09 -0.01 0.00 -1.73 0.00 0.00 68.15 67.60 2rpa h THR 46 CO 0.95 0.10 -0.36 0.45 -0.25 0.00 0.00 175.52 176.41 2rpa h HIS 47 N 0.56 0.00 0.07 4.73 3.86 -1.98 -0.18 115.15 122.20 2rpa h HIS 47 Ca 0.51 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.72 2rpa h HIS 47 Cb 1.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.52 2rpa h HIS 47 CO -0.00 0.36 -0.03 1.25 0.86 0.00 0.00 177.93 180.37 2rpa h LEU 48 N 0.00 -0.08 -0.15 2.43 6.46 -0.69 -2.89 115.31 120.39 2rpa h LEU 48 Ca -0.00 -0.51 -0.02 0.00 -0.12 0.00 0.00 57.88 57.22 2rpa h LEU 48 Cb 0.67 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.62 2rpa h LEU 48 CO 0.05 0.52 0.01 0.08 -0.62 0.00 0.00 178.44 178.48 2rpa h ARG 49 N -0.72 0.25 -0.84 1.25 0.11 -1.34 -2.80 114.38 110.29 2rpa h ARG 49 Ca -0.01 -0.07 0.20 0.00 0.10 0.00 0.00 59.98 60.20 2rpa h ARG 49 Cb 0.59 -0.03 -0.05 0.00 1.11 0.00 0.00 29.97 31.59 2rpa h ARG 49 CO 0.02 0.45 0.57 -0.56 0.10 0.00 0.00 179.97 180.55 2rpa h GLN 50 N 0.02 0.28 -0.36 0.08 3.07 -1.14 0.13 115.11 117.19 2rpa h GLN 50 Ca 0.04 -0.02 -0.05 0.00 0.09 0.00 0.00 58.65 58.72 2rpa h GLN 50 Cb 0.33 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 27.82 2rpa h GLN 50 CO 0.00 0.18 0.03 -0.22 0.09 0.00 0.00 178.83 178.92 2rpa h LYS 51 N 0.28 0.62 -0.08 0.06 1.63 -1.27 -2.96 116.57 114.85 2rpa h LYS 51 Ca 0.43 -0.18 -0.16 0.00 -0.85 0.00 0.00 60.65 59.88 2rpa h LYS 51 Cb 1.22 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.78 2rpa h LYS 51 CO -0.12 0.71 -0.66 -1.49 -3.45 0.00 0.00 179.45 174.44 2rpa h TRP 52 N 0.45 0.45 -0.86 1.91 4.06 -0.92 -3.13 115.95 117.91 2rpa h TRP 52 Ca 0.11 -0.18 0.11 0.00 2.06 0.00 0.00 58.89 60.98 2rpa h TRP 52 Cb 0.41 -0.07 -0.06 0.00 -1.00 0.00 0.00 29.16 28.43 2rpa h TRP 52 CO 0.03 0.90 0.56 0.37 -3.56 0.00 0.00 178.44 176.73 2rpa h GLN 53 N 0.24 0.76 -0.71 0.49 -0.00 -0.71 0.88 115.11 116.07 2rpa h GLN 53 Ca -0.02 -0.05 -0.06 0.00 -0.00 0.00 0.00 58.65 58.53 2rpa h GLN 53 Cb 1.20 -0.17 -0.03 0.00 0.00 0.00 0.00 27.48 28.48 2rpa h GLN 53 CO 0.11 0.50 0.19 0.37 0.00 0.00 0.00 178.83 180.00 2rpa h GLN 54 N 0.78 1.12 -0.06 1.69 5.75 -1.46 -2.86 115.11 120.07 2rpa h GLN 54 Ca 0.41 -0.26 -0.18 0.00 -0.15 0.00 0.00 58.65 58.47 2rpa h GLN 54 Cb 0.51 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 2rpa h GLN 54 CO -0.17 0.97 -0.75 0.28 -2.65 0.00 0.00 178.83 176.51 2rpa h VAL 55 N 1.05 1.40 -0.75 2.39 2.07 -1.26 -3.14 116.25 118.01 2rpa h VAL 55 Ca 0.22 -2.21 0.18 0.00 0.82 0.00 0.00 66.70 65.72 2rpa h VAL 55 Cb 0.34 2.17 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 2rpa h VAL 55 CO -0.00 0.66 0.52 -0.25 0.02 0.00 0.00 177.57 178.51 2rpa h TRP 56 N 0.23 0.30 -0.65 1.57 7.01 -0.65 0.43 115.95 124.20 2rpa h TRP 56 Ca -0.03 0.01 -0.09 0.00 2.11 0.00 0.00 58.89 60.89 2rpa h TRP 56 Cb 1.32 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 28.27 2rpa h TRP 56 CO 0.04 0.10 0.06 1.96 -2.79 0.00 0.00 178.44 177.81 2rpa h GLN 57 N 0.25 1.10 -0.20 2.65 1.08 -1.50 -2.13 115.11 116.36 2rpa h GLN 57 Ca 0.37 -0.32 -0.10 0.00 -1.45 0.00 0.00 58.65 57.16 2rpa h GLN 57 Cb 1.09 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.40 2rpa h GLN 57 CO -0.08 1.03 -0.29 0.93 -0.95 0.00 0.00 178.83 179.47 2rpa h GLU 58 N 1.01 0.39 -0.27 1.46 5.08 -1.05 -2.00 114.58 119.20 2rpa h GLU 58 Ca 0.19 -0.15 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 2rpa h GLU 58 Cb 0.49 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2rpa h GLU 58 CO 0.02 0.65 -0.40 0.82 -1.00 0.00 0.00 179.01 179.10 2rpa h ILE 59 N 0.35 1.29 0.05 3.13 2.04 -1.14 -2.04 117.51 121.19 2rpa h ILE 59 Ca 0.05 -1.57 -0.00 0.00 1.00 0.00 0.00 64.86 64.34 2rpa h ILE 59 Cb 0.69 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 2rpa h ILE 59 CO 0.05 0.50 -0.02 -1.13 0.00 0.00 0.00 178.15 177.55 2rpa h ASN 60 N 0.53 -0.05 -0.47 1.72 -1.24 -1.18 -2.99 115.58 111.90 2rpa h ASN 60 Ca 0.05 -0.45 0.03 0.00 0.71 0.00 0.00 56.30 56.63 2rpa h ASN 60 Cb 0.92 0.01 -0.03 0.00 0.73 0.00 0.00 38.32 39.96 2rpa h ASN 60 CO 0.08 0.44 0.31 1.62 -1.29 0.00 0.00 177.43 178.59 2rpa h VAL 61 N -0.56 1.05 -0.41 2.57 3.04 -1.40 -2.22 116.25 118.32 2rpa h VAL 61 Ca -0.01 -0.18 -0.01 0.00 -1.01 0.00 0.00 66.70 65.49 2rpa h VAL 61 Cb 0.50 0.47 -0.02 0.00 -2.01 0.00 0.00 31.29 30.23 2rpa h VAL 61 CO 0.01 0.10 0.24 -0.08 -1.01 0.00 0.00 177.57 176.82 2rpa h GLU 62 N 0.54 0.57 -0.19 4.17 4.81 -1.34 -2.16 114.58 120.98 2rpa h GLU 62 Ca 0.19 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 2rpa h GLU 62 Cb 0.09 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 2rpa h GLU 62 CO -0.05 0.44 0.13 0.00 -0.73 0.00 0.00 179.01 178.81 2rpa h ALA 63 N 1.09 1.91 -0.41 2.92 0.00 -1.25 -2.08 119.26 121.44 2rpa h ALA 63 Ca 0.15 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2rpa h ALA 63 Cb 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2rpa h ALA 63 CO -0.03 0.07 -0.13 -0.22 0.00 0.00 0.00 179.25 178.95 2rpa h LYS 64 N 0.22 0.82 -0.70 0.00 3.11 -1.23 -3.08 116.57 115.71 2rpa h LYS 64 Ca 0.08 -0.33 0.09 0.00 -2.81 0.00 0.00 60.65 57.67 2rpa h LYS 64 Cb 0.03 -0.04 -0.07 0.00 -1.00 0.00 0.00 32.23 31.15 2rpa h LYS 64 CO -0.02 0.96 0.35 1.96 -2.81 0.00 0.00 179.45 179.89 2rpa h GLN 65 N 0.64 0.58 -0.71 1.90 1.08 -1.01 -0.66 115.11 116.93 2rpa h GLN 65 Ca 0.10 -0.04 0.10 0.00 -1.45 0.00 0.00 58.65 57.36 2rpa h GLN 65 Cb 0.67 -0.13 -0.05 0.00 -0.05 0.00 0.00 27.48 27.92 2rpa h GLN 65 CO 0.05 0.39 0.47 0.28 -0.95 0.00 0.00 178.83 179.06 2rpa h VAL 66 N 0.60 0.92 -0.48 -0.54 2.07 -1.45 -0.20 116.25 117.18 2rpa h VAL 66 Ca 0.34 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 67.73 2rpa h VAL 66 Cb 0.34 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 2rpa h VAL 66 CO -0.26 0.11 0.32 0.50 0.02 0.00 0.00 177.57 178.26 2rpa h LYS 67 N 0.58 0.36 0.05 1.57 3.11 -1.11 0.28 116.57 121.41 2rpa h LYS 67 Ca 0.33 -0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 58.14 2rpa h LYS 67 Cb 0.49 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.64 2rpa h LYS 67 CO -0.11 0.24 -0.02 0.22 -2.81 0.00 0.00 179.45 176.96 2rpa h ASP 68 N 0.37 -0.05 -1.00 4.20 3.58 -1.05 -3.33 116.42 119.14 2rpa h ASP 68 Ca 0.21 -0.06 0.24 0.00 0.42 0.00 0.00 57.03 57.84 2rpa h ASP 68 Cb 0.36 0.01 -0.08 0.00 1.72 0.00 0.00 39.33 41.34 2rpa h ASP 68 CO -0.05 0.47 0.65 0.16 -2.88 0.00 0.00 179.24 177.58 2rpa h ILE 69 N -1.01 0.58 -3.91 2.25 3.07 -1.33 -3.40 117.51 113.76 2rpa h ILE 69 Ca -0.01 -0.14 -0.49 0.00 1.55 0.00 0.00 64.86 65.77 2rpa h ILE 69 Cb 0.11 0.13 0.02 0.00 -0.27 0.00 0.00 36.82 36.82 2rpa h ILE 69 CO 0.01 0.08 0.44 0.00 -1.05 0.00 0.00 178.15 177.63 2rpa s MET 70 N -5.48 4.29 0.27 0.16 0.23 0.08 -5.06 119.30 113.79 2rpa s MET 70 Ca -0.09 1.65 0.01 0.00 -1.03 0.00 0.00 55.69 56.24 2rpa s MET 70 Cb 0.24 -2.76 0.01 0.00 -1.53 0.00 0.00 34.83 30.79 2rpa s MET 70 CO 0.79 -0.06 0.08 1.63 -2.03 0.00 0.00 175.02 175.43 2rpa n LYS 71 N 0.34 1.26 0.00 3.16 4.76 -1.26 -4.90 118.16 121.51 2rpa n LYS 71 Ca 0.03 -1.86 0.00 0.00 -2.87 0.00 0.00 58.31 53.61 2rpa n LYS 71 Cb 0.48 0.39 0.00 0.00 -1.84 0.00 0.00 35.03 34.06 2rpa n LYS 71 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66