#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 1.07 -0.18 -3.46 1.01 -1.26 -5.10 116.67 108.75 2rpa s ASP -4 Ca 0.00 -0.16 -0.29 0.00 0.71 0.00 0.00 52.55 52.81 2rpa s ASP -4 Cb 0.00 -0.19 -0.04 0.00 1.01 0.00 0.00 42.92 43.70 2rpa s ASP -4 CO 0.00 0.09 1.78 -2.28 0.21 0.00 0.00 175.17 174.97 2rpa s HIS -3 N -0.03 1.80 0.40 4.23 2.46 -1.26 -4.97 115.29 117.92 2rpa s HIS -3 Ca 0.01 0.38 0.03 0.00 0.47 0.00 0.00 55.06 55.94 2rpa s HIS -3 Cb -0.05 -4.02 -0.01 0.00 -0.13 0.00 0.00 32.58 28.37 2rpa s HIS -3 CO -0.00 -3.58 0.11 -1.33 -2.47 0.00 0.00 174.74 167.47 2rpa n MET -2 N 7.84 0.66 -1.70 2.88 2.81 -1.26 -5.07 117.12 123.28 2rpa n MET -2 Ca 0.21 -3.24 -0.41 0.00 -1.81 0.00 0.00 57.70 52.44 2rpa n MET -2 Cb 0.45 1.57 -0.03 0.00 -0.71 0.00 0.00 33.22 34.50 2rpa n MET -2 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2rpa s THR -1 N -2.91 3.12 -0.69 2.03 2.01 -1.26 -4.90 115.64 113.03 2rpa s THR -1 Ca 0.15 0.11 -0.27 0.00 0.31 0.00 0.00 61.69 62.00 2rpa s THR -1 Cb 0.01 -3.20 0.01 0.00 0.01 0.00 0.00 72.50 69.33 2rpa s THR -1 CO 0.11 -0.15 1.49 -0.04 -0.69 0.00 0.00 174.62 175.34 2rpa s MET 1 N 6.72 2.99 -0.14 4.92 -1.94 -1.26 -4.98 119.30 125.62 2rpa s MET 1 Ca 0.94 0.06 0.01 0.00 -1.71 0.00 0.00 55.69 54.99 2rpa s MET 1 Cb -0.26 -4.25 -0.00 0.00 2.01 0.00 0.00 34.83 32.32 2rpa s MET 1 CO 0.32 -2.35 -0.16 -1.54 -0.01 0.00 0.00 175.02 171.27 2rpa s SER 2 N 5.28 3.68 0.65 3.03 1.04 -1.26 -4.98 113.70 121.13 2rpa s SER 2 Ca 0.46 -0.44 0.34 0.00 0.48 0.00 0.00 55.95 56.79 2rpa s SER 2 Cb -0.10 -1.56 1.85 0.00 0.10 0.00 0.00 66.02 66.32 2rpa s SER 2 CO 0.17 0.12 2.08 0.25 0.98 0.00 0.00 173.24 176.83 2rpa h LEU 3 N 7.07 0.00 -0.63 2.42 6.46 -2.02 -1.14 115.31 127.47 2rpa h LEU 3 Ca -0.29 0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.48 2rpa h LEU 3 Cb 1.20 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.10 2rpa h LEU 3 CO 0.55 0.00 0.41 -0.61 -0.62 0.00 0.00 178.44 178.17 2rpa h GLN 4 N 0.00 0.80 0.00 1.25 5.75 -1.99 -0.67 115.11 120.25 2rpa h GLN 4 Ca 0.03 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 2rpa h GLN 4 Cb 0.48 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.85 2rpa h GLN 4 CO -0.00 0.53 0.18 1.98 -2.65 0.00 0.00 178.83 178.87 2rpa h MET 5 N 0.83 0.00 0.00 1.69 4.05 -1.62 0.39 114.93 120.27 2rpa h MET 5 Ca 0.24 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.66 2rpa h MET 5 Cb -0.06 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.74 2rpa h MET 5 CO -0.07 0.00 -0.26 -0.89 0.23 0.00 0.00 176.91 175.92 2rpa n ILE 6 N -2.96 0.71 -0.28 1.77 2.08 -0.33 -3.92 119.36 116.42 2rpa n ILE 6 Ca -0.02 0.36 0.23 0.00 0.56 0.00 0.00 62.75 63.87 2rpa n ILE 6 Cb 0.23 -1.95 0.55 0.00 -0.75 0.00 0.00 39.64 37.72 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 -0.50 0.57 -0.12 1.39 -1.51 -1.23 0.48 116.25 115.34 2rpa h VAL 7 Ca 0.00 -0.12 -0.03 0.00 -1.23 0.00 0.00 66.70 65.32 2rpa h VAL 7 Cb 0.26 0.20 -0.01 0.00 -2.13 0.00 0.00 31.29 29.62 2rpa h VAL 7 CO 0.00 0.06 -0.08 1.05 -1.23 0.00 0.00 177.57 177.37 2rpa h GLU 8 N 0.34 0.17 -0.26 5.19 4.11 -1.11 -2.07 114.58 120.95 2rpa h GLU 8 Ca 0.53 -0.03 -0.03 0.00 0.07 0.00 0.00 59.36 59.90 2rpa h GLU 8 Cb 1.46 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.67 2rpa h GLU 8 CO -0.21 0.27 0.02 -0.91 0.07 0.00 0.00 179.01 178.25 2rpa h ASN 9 N 0.17 0.35 -0.18 3.06 -0.26 -0.14 -2.82 115.58 115.76 2rpa h ASN 9 Ca 0.04 -0.05 0.02 0.00 -0.56 0.00 0.00 56.30 55.74 2rpa h ASN 9 Cb 0.26 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.41 2rpa h ASN 9 CO 0.01 0.40 0.07 0.58 -1.06 0.00 0.00 177.43 177.43 2rpa h VAL 10 N 0.38 0.96 -1.01 2.81 2.07 -1.37 -1.96 116.25 118.13 2rpa h VAL 10 Ca 0.09 -0.05 0.25 0.00 0.82 0.00 0.00 66.70 67.81 2rpa h VAL 10 Cb 0.23 0.80 -0.08 0.00 -1.52 0.00 0.00 31.29 30.71 2rpa h VAL 10 CO 0.00 0.03 0.66 0.11 0.02 0.00 0.00 177.57 178.39 2rpa h LYS 11 N 0.15 0.37 -0.14 1.57 1.79 -1.57 0.68 116.57 119.43 2rpa h LYS 11 Ca 0.08 -0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.47 2rpa h LYS 11 Cb 0.04 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 30.61 2rpa h LYS 11 CO -0.07 0.25 -0.12 1.25 -1.08 0.00 0.00 179.45 179.67 2rpa h LEU 12 N 0.38 0.35 -0.94 2.94 7.12 -1.42 -2.68 115.31 121.06 2rpa h LEU 12 Ca 0.56 -0.47 -0.02 0.00 0.13 0.00 0.00 57.88 58.08 2rpa h LEU 12 Cb 1.45 -0.10 -0.04 0.00 -0.53 0.00 0.00 40.66 41.44 2rpa h LEU 12 CO -0.25 0.75 0.47 0.00 -0.13 0.00 0.00 178.44 179.27 2rpa h ALA 13 N 0.62 1.19 -0.42 1.25 0.00 -0.57 -2.71 119.26 118.62 2rpa h ALA 13 Ca 0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2rpa h ALA 13 Cb 0.64 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2rpa h ALA 13 CO 0.03 0.65 0.25 -0.09 0.00 0.00 0.00 179.25 180.09 2rpa h ARG 14 N 1.22 0.56 -0.96 0.00 2.43 -0.96 -2.41 114.38 114.27 2rpa h ARG 14 Ca 0.31 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.50 2rpa h ARG 14 Cb 0.04 -0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 29.41 2rpa h ARG 14 CO -0.05 0.41 0.62 1.49 -1.51 0.00 0.00 179.97 180.94 2rpa h GLU 15 N 0.55 1.06 -0.63 0.20 4.81 -1.17 -1.72 114.58 117.67 2rpa h GLU 15 Ca 0.15 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 2rpa h GLU 15 Cb -0.00 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.11 2rpa h GLU 15 CO -0.03 0.70 0.24 1.88 -0.73 0.00 0.00 179.01 181.08 2rpa h TYR 16 N 1.09 0.96 -0.88 0.92 -1.99 -1.17 -0.86 116.97 115.04 2rpa h TYR 16 Ca 0.42 -0.08 -0.01 0.00 2.00 0.00 0.00 58.73 61.07 2rpa h TYR 16 Cb 0.22 -0.29 -0.04 0.00 2.00 0.00 0.00 36.73 38.62 2rpa h TYR 16 CO -0.00 0.76 0.53 0.00 -0.00 0.00 0.00 178.16 179.45 2rpa h ALA 17 N 1.10 1.27 0.18 3.88 0.00 -0.33 0.93 119.26 126.29 2rpa h ALA 17 Ca 0.21 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2rpa h ALA 17 Cb 0.21 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2rpa h ALA 17 CO -0.02 0.62 -0.09 -0.07 0.00 0.00 0.00 179.25 179.70 2rpa h LEU 18 N 1.22 -0.21 -1.01 0.00 3.38 -1.09 -3.22 115.31 114.38 2rpa h LEU 18 Ca 0.32 -0.32 0.19 0.00 0.09 0.00 0.00 57.88 58.16 2rpa h LEU 18 Cb -0.04 0.05 -0.11 0.00 0.09 0.00 0.00 40.66 40.65 2rpa h LEU 18 CO -0.06 0.27 0.61 -0.07 0.09 0.00 0.00 178.44 179.28 2rpa h LEU 19 N -0.76 0.79 0.00 1.67 4.07 -1.07 -3.45 115.31 116.55 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 0.51 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.21 2rpa h LEU 19 CO 0.04 0.28 0.00 0.61 -1.08 0.00 0.00 178.44 178.29 2rpa n GLY 20 N -1.33 0.50 3.39 0.83 0.00 -0.59 -5.10 105.19 102.89 2rpa n GLY 20 Ca 0.23 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.81 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 6.20 -0.18 1.61 3.04 0.31 -4.85 114.94 121.06 2rpa s ASN 21 Ca 0.00 -1.40 -0.08 0.00 0.04 0.00 0.00 52.86 51.42 2rpa s ASN 21 Cb 0.00 -2.32 -0.21 0.00 -1.54 0.00 0.00 41.25 37.18 2rpa s ASN 21 CO 0.00 -1.16 0.13 -1.22 -3.04 0.00 0.00 177.10 171.81 2rpa n TYR 22 N 6.52 0.80 -0.30 0.43 4.02 -1.26 -1.33 117.16 126.04 2rpa n TYR 22 Ca -0.08 0.21 0.09 0.00 -0.01 0.00 0.00 57.90 58.12 2rpa n TYR 22 Cb 0.43 -1.10 0.26 0.00 -0.02 0.00 0.00 39.34 38.91 2rpa n TYR 22 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 176.86 176.07 2rpa h ASP 23 N -0.25 0.51 0.32 7.72 3.58 -1.94 0.36 116.42 126.72 2rpa h ASP 23 Ca -0.48 0.11 -0.05 0.00 0.42 0.00 0.00 57.03 57.04 2rpa h ASP 23 Cb 1.83 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.90 2rpa h ASP 23 CO -0.06 0.17 -0.22 0.28 -2.88 0.00 0.00 179.24 176.53 2rpa h SER 24 N 0.59 0.00 0.38 2.28 0.02 -1.97 -2.47 113.55 112.38 2rpa h SER 24 Ca 0.50 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 61.26 2rpa h SER 24 Cb 0.78 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 2rpa h SER 24 CO -0.40 0.22 -0.78 0.00 -1.14 0.00 0.00 176.83 174.73 2rpa h ALA 25 N 1.78 0.58 0.72 3.77 0.00 -0.46 -3.08 119.26 122.56 2rpa h ALA 25 Ca -0.00 -0.64 -0.04 0.00 0.00 0.00 0.00 54.91 54.23 2rpa h ALA 25 Cb 0.44 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.18 2rpa h ALA 25 CO 0.03 0.81 -0.34 0.52 0.00 0.00 0.00 179.25 180.26 2rpa h MET 26 N 0.21 -0.93 -0.88 0.00 2.07 -0.83 0.26 114.93 114.83 2rpa h MET 26 Ca -0.04 0.06 0.14 0.00 -2.07 0.00 0.00 59.70 57.79 2rpa h MET 26 Cb 1.37 0.21 -0.07 0.00 -1.87 0.00 0.00 31.60 31.24 2rpa h MET 26 CO 0.13 -0.62 0.57 -0.39 1.07 0.00 0.00 176.91 177.67 2rpa h VAL 27 N -0.97 0.85 0.07 -2.22 -1.51 -1.63 -0.20 116.25 110.63 2rpa h VAL 27 Ca -0.10 -0.24 -0.00 0.00 -1.23 0.00 0.00 66.70 65.13 2rpa h VAL 27 Cb 0.74 0.10 0.00 0.00 -2.13 0.00 0.00 31.29 30.00 2rpa h VAL 27 CO 0.16 0.13 -0.03 1.88 -1.23 0.00 0.00 177.57 178.48 2rpa h TYR 28 N 0.69 -0.08 0.07 5.19 -1.99 -1.40 -2.91 116.97 116.54 2rpa h TYR 28 Ca 0.44 -0.00 0.02 0.00 2.00 0.00 0.00 58.73 61.19 2rpa h TYR 28 Cb 0.69 0.03 -0.04 0.00 2.00 0.00 0.00 36.73 39.41 2rpa h TYR 28 CO -0.00 0.41 -0.26 1.88 -0.00 0.00 0.00 178.16 180.19 2rpa h TYR 29 N -0.63 -0.70 -0.89 4.88 0.05 0.09 -0.65 116.97 119.12 2rpa h TYR 29 Ca -0.01 0.02 0.22 0.00 0.05 0.00 0.00 58.73 59.01 2rpa h TYR 29 Cb 0.53 0.30 -0.06 0.00 1.01 0.00 0.00 36.73 38.52 2rpa h TYR 29 CO 0.10 -0.36 0.60 0.37 -1.05 0.00 0.00 178.16 177.82 2rpa h GLN 30 N -0.44 0.25 -0.07 4.88 5.75 -1.15 -0.64 115.11 123.69 2rpa h GLN 30 Ca 0.04 -0.01 -0.12 0.00 -0.15 0.00 0.00 58.65 58.41 2rpa h GLN 30 Cb 0.49 -0.06 0.01 0.00 1.07 0.00 0.00 27.48 28.99 2rpa h GLN 30 CO -0.18 0.16 -0.41 0.78 -2.65 0.00 0.00 178.83 176.53 2rpa h GLY 31 N 0.26 0.44 0.97 2.39 0.00 -1.00 -2.56 103.07 103.57 2rpa h GLY 31 Ca 0.45 -0.64 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 2rpa h GLY 31 CO -0.12 0.57 0.21 -2.08 0.00 0.00 0.00 176.54 175.12 2rpa h VAL 32 N -0.08 1.14 -0.73 4.60 2.07 0.21 0.02 116.25 123.48 2rpa h VAL 32 Ca -0.03 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 2rpa h VAL 32 Cb 1.07 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 2rpa h VAL 32 CO 0.08 0.14 0.33 -0.07 0.02 0.00 0.00 177.57 178.08 2rpa h LEU 33 N 0.47 0.96 -0.21 2.57 -0.00 -1.26 0.25 115.31 118.10 2rpa h LEU 33 Ca 0.13 -0.12 -0.05 0.00 -0.00 0.00 0.00 57.88 57.84 2rpa h LEU 33 Cb 0.05 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 40.45 2rpa h LEU 33 CO -0.02 0.83 -0.08 0.44 -0.00 0.00 0.00 178.44 179.61 2rpa h ASP 34 N 1.05 0.42 -0.16 -0.43 5.19 -1.11 -2.75 116.42 118.64 2rpa h ASP 34 Ca 0.25 -0.39 -0.12 0.00 -0.62 0.00 0.00 57.03 56.15 2rpa h ASP 34 Cb 0.14 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 2rpa h ASP 34 CO -0.03 0.72 -0.31 1.56 -3.12 0.00 0.00 179.24 178.06 2rpa h GLN 35 N 0.12 0.65 -0.18 3.56 1.08 -0.77 -3.12 115.11 116.45 2rpa h GLN 35 Ca 0.05 -0.29 0.03 0.00 -1.45 0.00 0.00 58.65 56.99 2rpa h GLN 35 Cb 0.55 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.94 2rpa h GLN 35 CO 0.03 0.88 0.01 0.52 -0.95 0.00 0.00 178.83 179.31 2rpa h MET 36 N 0.55 0.07 -0.50 1.46 2.86 -0.46 -2.53 114.93 116.38 2rpa h MET 36 Ca 0.07 -0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.78 2rpa h MET 36 Cb 0.81 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.39 2rpa h MET 36 CO 0.07 0.04 0.14 -0.91 1.06 0.00 0.00 176.91 177.31 2rpa h ASN 37 N 0.07 0.09 -0.98 1.22 2.35 -1.44 -1.09 115.58 115.80 2rpa h ASN 37 Ca 0.08 0.08 0.17 0.00 -0.55 0.00 0.00 56.30 56.08 2rpa h ASN 37 Cb 0.10 0.08 -0.10 0.00 0.05 0.00 0.00 38.32 38.45 2rpa h ASN 37 CO -0.14 0.08 0.58 0.11 -1.65 0.00 0.00 177.43 176.41 2rpa h LYS 38 N 0.30 0.76 -0.11 0.81 1.57 -1.40 0.27 116.57 118.77 2rpa h LYS 38 Ca 0.25 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 2rpa h LYS 38 Cb 0.31 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 2rpa h LYS 38 CO -0.29 0.50 0.03 -0.92 -0.57 0.00 0.00 179.45 178.20 2rpa h TYR 39 N 0.78 0.17 -0.39 -1.35 5.03 -0.92 -1.42 116.97 118.88 2rpa h TYR 39 Ca 0.54 -0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.77 2rpa h TYR 39 Cb 0.78 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.99 2rpa h TYR 39 CO -0.02 0.32 -0.03 -0.07 -1.32 0.00 0.00 178.16 177.04 2rpa h LEU 40 N -0.02 0.60 0.00 2.82 3.38 -0.75 -0.43 115.31 120.90 2rpa h LEU 40 Ca 0.03 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2rpa h LEU 40 Cb 0.23 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2rpa h LEU 40 CO -0.00 0.68 0.00 0.00 0.09 0.00 0.00 178.44 179.21 2rpa n TYR 41 N -4.24 0.00 -0.12 1.13 4.19 0.85 -3.31 117.16 115.67 2rpa n TYR 41 Ca 0.02 0.00 -0.16 0.00 3.31 0.00 0.00 57.90 61.07 2rpa n TYR 41 Cb 0.28 -0.43 -0.13 0.00 0.49 0.00 0.00 39.34 39.56 2rpa n TYR 41 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 2rpa n SER 42 N -1.43 1.46 -4.64 2.98 7.64 -0.55 -4.90 113.62 114.18 2rpa n SER 42 Ca 0.08 -0.10 -0.43 0.00 1.01 0.00 0.00 58.87 59.43 2rpa n SER 42 Cb 0.26 -0.04 -0.02 0.00 -1.01 0.00 0.00 64.21 63.39 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 -2.51 4.15 0.18 0.44 0.11 -0.27 -4.91 120.40 117.59 2rpa s VAL 43 Ca -0.28 1.34 -0.11 0.00 -2.93 0.00 0.00 61.98 59.99 2rpa s VAL 43 Cb 0.08 -4.04 0.09 0.00 -1.53 0.00 0.00 36.38 30.98 2rpa s VAL 43 CO 0.66 -0.31 1.75 0.11 -3.33 0.00 0.00 175.10 173.98 2rpa h LYS 44 N 8.97 0.92 -5.14 1.54 1.79 -1.90 -3.40 116.57 119.35 2rpa h LYS 44 Ca -0.27 -0.15 -0.17 0.00 -2.18 0.00 0.00 60.65 57.87 2rpa h LYS 44 Cb 1.11 -0.16 -0.06 0.00 -1.58 0.00 0.00 32.23 31.54 2rpa h LYS 44 CO 1.00 0.77 1.03 -3.47 -1.08 0.00 0.00 179.45 177.70 2rpa n ASP 45 N -4.46 -0.04 -0.23 0.86 2.03 -1.26 -4.70 116.55 108.74 2rpa n ASP 45 Ca 0.04 -1.11 0.23 0.00 0.52 0.00 0.00 54.79 54.47 2rpa n ASP 45 Cb 0.15 -1.06 0.58 0.00 -0.72 0.00 0.00 41.12 40.07 2rpa n ASP 45 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2rpa h THR 46 N 7.26 0.62 0.00 5.18 1.35 -1.96 0.50 112.91 125.85 2rpa h THR 46 Ca 0.02 -0.09 -0.10 0.00 -0.55 0.00 0.00 66.41 65.69 2rpa h THR 46 Cb 1.06 0.32 -0.01 0.00 -1.73 0.00 0.00 68.15 67.79 2rpa h THR 46 CO 1.30 0.05 -0.46 0.45 -0.25 0.00 0.00 175.52 176.60 2rpa h HIS 47 N 0.27 0.00 0.12 4.73 3.86 -1.95 -1.73 115.15 120.44 2rpa h HIS 47 Ca 0.47 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.68 2rpa h HIS 47 Cb 1.39 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.87 2rpa h HIS 47 CO -0.00 0.46 -0.06 1.25 0.86 0.00 0.00 177.93 180.44 2rpa h LEU 48 N 0.00 -0.13 -1.66 2.43 6.46 -0.38 -3.14 115.31 118.89 2rpa h LEU 48 Ca -0.00 -0.43 -0.03 0.00 -0.12 0.00 0.00 57.88 57.29 2rpa h LEU 48 Cb 0.85 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.81 2rpa h LEU 48 CO 0.06 0.43 -0.14 0.08 -0.62 0.00 0.00 178.44 178.26 2rpa h ARG 49 N -0.78 0.04 -0.65 1.25 0.11 -1.43 -2.24 114.38 110.67 2rpa h ARG 49 Ca -0.02 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.05 2rpa h ARG 49 Cb 0.55 -0.01 -0.03 0.00 1.11 0.00 0.00 29.97 31.60 2rpa h ARG 49 CO 0.03 0.18 0.38 0.37 0.10 0.00 0.00 179.97 181.03 2rpa h GLN 50 N 0.04 0.89 -0.38 0.08 -0.00 -1.34 0.24 115.11 114.65 2rpa h GLN 50 Ca 0.01 -0.08 -0.09 0.00 -0.00 0.00 0.00 58.65 58.49 2rpa h GLN 50 Cb 0.27 -0.19 -0.01 0.00 0.00 0.00 0.00 27.48 27.55 2rpa h GLN 50 CO 0.02 0.64 -0.11 -0.22 0.00 0.00 0.00 178.83 179.16 2rpa h LYS 51 N 0.90 0.75 -0.08 1.69 1.63 -1.35 -2.99 116.57 117.11 2rpa h LYS 51 Ca 0.23 -0.29 -0.17 0.00 -0.85 0.00 0.00 60.65 59.57 2rpa h LYS 51 Cb -0.01 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.58 2rpa h LYS 51 CO -0.04 0.90 -0.67 -1.49 -3.45 0.00 0.00 179.45 174.70 2rpa h TRP 52 N 0.55 0.45 -0.72 1.91 -0.00 -1.39 -3.19 115.95 113.56 2rpa h TRP 52 Ca 0.09 -0.19 0.08 0.00 -0.00 0.00 0.00 58.89 58.88 2rpa h TRP 52 Cb 0.64 -0.07 -0.06 0.00 -0.00 0.00 0.00 29.16 29.66 2rpa h TRP 52 CO 0.05 0.91 0.39 0.37 -0.00 0.00 0.00 178.44 180.15 2rpa h GLN 53 N 0.24 0.66 -0.85 0.49 4.15 -0.44 0.35 115.11 119.71 2rpa h GLN 53 Ca -0.02 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.37 2rpa h GLN 53 Cb 1.21 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 28.71 2rpa h GLN 53 CO 0.11 0.43 0.57 0.37 -1.93 0.00 0.00 178.83 178.38 2rpa h GLN 54 N 0.68 1.12 -0.08 1.69 4.15 -1.51 -2.50 115.11 118.65 2rpa h GLN 54 Ca 0.34 -0.07 -0.20 0.00 0.77 0.00 0.00 58.65 59.49 2rpa h GLN 54 Cb 0.29 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 27.73 2rpa h GLN 54 CO -0.23 0.74 -0.78 0.28 -1.93 0.00 0.00 178.83 176.92 2rpa h VAL 55 N 1.16 1.36 -0.68 2.39 2.07 -1.35 -3.24 116.25 117.96 2rpa h VAL 55 Ca 0.31 -2.15 0.11 0.00 0.82 0.00 0.00 66.70 65.79 2rpa h VAL 55 Cb -0.13 2.13 -0.08 0.00 -1.52 0.00 0.00 31.29 31.69 2rpa h VAL 55 CO -0.07 0.65 0.28 -0.25 0.02 0.00 0.00 177.57 178.21 2rpa h TRP 56 N 0.33 0.50 -0.85 1.57 7.01 0.08 -0.68 115.95 123.91 2rpa h TRP 56 Ca -0.04 0.03 0.07 0.00 2.11 0.00 0.00 58.89 61.06 2rpa h TRP 56 Cb 1.37 -0.12 -0.06 0.00 -2.10 0.00 0.00 29.16 28.25 2rpa h TRP 56 CO 0.06 0.13 0.51 1.96 -2.79 0.00 0.00 178.44 178.31 2rpa h GLN 57 N 0.47 0.89 -0.26 2.65 4.20 -1.51 -0.81 115.11 120.74 2rpa h GLN 57 Ca 0.35 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.96 2rpa h GLN 57 Cb 0.44 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 2rpa h GLN 57 CO -0.32 0.59 -0.02 0.93 -0.67 0.00 0.00 178.83 179.34 2rpa h GLU 58 N 0.91 0.47 -0.45 1.46 4.39 -1.26 -1.97 114.58 118.12 2rpa h GLU 58 Ca 0.38 -0.16 0.01 0.00 0.34 0.00 0.00 59.36 59.94 2rpa h GLU 58 Cb 0.23 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 2rpa h GLU 58 CO -0.20 0.65 0.30 0.82 -1.16 0.00 0.00 179.01 179.42 2rpa h ILE 59 N 0.23 1.09 -0.11 3.13 2.04 -0.64 -0.51 117.51 122.75 2rpa h ILE 59 Ca 0.07 -0.20 -0.18 0.00 1.00 0.00 0.00 64.86 65.55 2rpa h ILE 59 Cb 0.45 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2rpa h ILE 59 CO 0.02 0.10 -0.70 -1.13 0.00 0.00 0.00 178.15 176.44 2rpa h ASN 60 N 0.57 0.56 0.16 1.72 -1.24 -0.97 -2.89 115.58 113.48 2rpa h ASN 60 Ca 0.17 -0.36 -0.01 0.00 0.71 0.00 0.00 56.30 56.82 2rpa h ASN 60 Cb -0.00 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 38.89 2rpa h ASN 60 CO -0.04 1.10 -0.08 0.58 -1.29 0.00 0.00 177.43 177.70 2rpa h VAL 61 N 0.33 0.96 -0.91 2.57 2.07 -0.55 -3.02 116.25 117.71 2rpa h VAL 61 Ca -0.03 -0.93 0.15 0.00 0.82 0.00 0.00 66.70 66.71 2rpa h VAL 61 Cb 1.28 1.50 -0.10 0.00 -1.52 0.00 0.00 31.29 32.45 2rpa h VAL 61 CO 0.13 0.20 0.51 1.05 0.02 0.00 0.00 177.57 179.48 2rpa h GLU 62 N -0.70 0.69 -0.11 1.57 4.11 -1.21 0.20 114.58 119.13 2rpa h GLU 62 Ca -0.02 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.36 2rpa h GLU 62 Cb 0.50 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2rpa h GLU 62 CO 0.04 0.45 0.04 0.00 0.07 0.00 0.00 179.01 179.61 2rpa h ALA 63 N 1.58 1.86 -0.17 1.06 0.00 -1.51 -2.42 119.26 119.67 2rpa h ALA 63 Ca 0.50 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.26 2rpa h ALA 63 Cb 0.70 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2rpa h ALA 63 CO -0.36 0.11 -0.31 -0.22 0.00 0.00 0.00 179.25 178.48 2rpa h LYS 64 N 0.15 0.50 -0.74 0.00 3.11 -0.48 -3.21 116.57 115.90 2rpa h LYS 64 Ca 0.04 -0.32 0.10 0.00 -2.81 0.00 0.00 60.65 57.66 2rpa h LYS 64 Cb 0.05 0.04 -0.07 0.00 -1.00 0.00 0.00 32.23 31.24 2rpa h LYS 64 CO -0.00 0.92 0.38 1.96 -2.81 0.00 0.00 179.45 179.90 2rpa h GLN 65 N 0.14 0.61 -0.78 1.90 1.08 -0.93 -0.31 115.11 116.81 2rpa h GLN 65 Ca 0.01 -0.04 0.16 0.00 -1.45 0.00 0.00 58.65 57.33 2rpa h GLN 65 Cb 0.90 -0.14 -0.05 0.00 -0.05 0.00 0.00 27.48 28.14 2rpa h GLN 65 CO 0.07 0.40 0.52 0.28 -0.95 0.00 0.00 178.83 179.15 2rpa h VAL 66 N 0.63 0.78 -0.16 -0.54 2.07 -1.51 0.17 116.25 117.69 2rpa h VAL 66 Ca 0.37 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.68 2rpa h VAL 66 Cb 0.40 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2rpa h VAL 66 CO -0.28 0.08 -0.17 0.07 0.02 0.00 0.00 177.57 177.29 2rpa h LYS 67 N 0.43 0.27 0.00 1.57 5.09 -1.10 -2.22 116.57 120.62 2rpa h LYS 67 Ca 0.39 -0.07 -0.00 0.00 0.09 0.00 0.00 60.65 61.06 2rpa h LYS 67 Cb 0.88 -0.03 0.00 0.00 0.10 0.00 0.00 32.23 33.18 2rpa h LYS 67 CO -0.13 0.44 -0.00 0.22 -2.09 0.00 0.00 179.45 177.89 2rpa h ASP 68 N 0.25 -0.01 -0.12 7.07 3.58 -0.66 -3.28 116.42 123.26 2rpa h ASP 68 Ca 0.05 -0.79 0.04 0.00 0.42 0.00 0.00 57.03 56.75 2rpa h ASP 68 Cb 0.45 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.50 2rpa h ASP 68 CO 0.03 0.88 0.28 0.16 -2.88 0.00 0.00 179.24 177.70 2rpa h ILE 69 N -0.98 0.18 -3.48 2.25 3.07 -1.15 -3.41 117.51 113.99 2rpa h ILE 69 Ca -0.00 0.00 -0.53 0.00 1.55 0.00 0.00 64.86 65.88 2rpa h ILE 69 Cb 0.79 0.75 -0.03 0.00 -0.27 0.00 0.00 36.82 38.06 2rpa h ILE 69 CO 0.00 0.00 -0.05 0.00 -1.05 0.00 0.00 178.15 177.06 2rpa s MET 70 N -4.33 3.92 0.09 0.16 0.23 -0.84 -5.00 119.30 113.53 2rpa s MET 70 Ca -0.04 0.46 -0.35 0.00 -1.03 0.00 0.00 55.69 54.72 2rpa s MET 70 Cb 0.12 -2.69 -0.15 0.00 -1.53 0.00 0.00 34.83 30.58 2rpa s MET 70 CO 0.41 0.33 1.51 1.17 -2.03 0.00 0.00 175.02 176.41 2rpa n LYS 71 N 0.12 1.70 0.00 3.16 0.00 -1.26 -4.93 118.16 116.94 2rpa n LYS 71 Ca -0.01 0.61 0.00 0.00 0.00 0.00 0.00 58.31 58.92 2rpa n LYS 71 Cb 0.52 -2.33 0.00 0.00 0.00 0.00 0.00 35.03 33.22 2rpa n LYS 71 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65