#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 0.61 -2.48 6.43 3.04 -2.09 -3.45 116.42 118.47 2rpa h ASP -4 Ca 0.00 -0.61 -0.44 0.00 -3.24 0.00 0.00 57.03 52.74 2rpa h ASP -4 Cb 0.00 -0.18 0.05 0.00 -1.04 0.00 0.00 39.33 38.16 2rpa h ASP -4 CO 0.00 1.12 -0.02 -1.38 -2.04 0.00 0.00 179.24 176.91 2rpa s HIS -3 N -3.81 2.75 -0.14 4.15 -3.43 -1.26 -5.04 115.29 108.51 2rpa s HIS -3 Ca -0.13 -0.03 0.18 0.00 -0.80 0.00 0.00 55.06 54.28 2rpa s HIS -3 Cb 0.06 -2.77 0.44 0.00 -1.43 0.00 0.00 32.58 28.88 2rpa s HIS -3 CO 0.82 -0.95 1.18 0.00 -2.00 0.00 0.00 174.74 173.79 2rpa n MET -2 N -2.39 1.18 -0.93 -0.38 0.00 -1.26 -5.11 117.12 108.23 2rpa n MET -2 Ca 0.09 -2.89 -0.31 0.00 0.00 0.00 0.00 57.70 54.59 2rpa n MET -2 Cb 0.60 -1.02 0.02 0.00 0.00 0.00 0.00 33.22 32.81 2rpa n MET -2 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 2rpa n THR -1 N -0.33 0.00 -2.03 3.17 5.66 -1.26 -4.67 114.28 114.82 2rpa n THR -1 Ca 0.15 -0.40 -0.40 0.00 -3.05 0.00 0.00 64.05 60.35 2rpa n THR -1 Cb 0.93 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.69 2rpa n THR -1 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 2rpa n MET 1 N 1.50 2.52 -4.21 1.09 2.81 -1.26 -4.88 117.12 114.68 2rpa n MET 1 Ca 0.04 -2.71 -0.17 0.00 -1.81 0.00 0.00 57.70 53.04 2rpa n MET 1 Cb 0.40 -3.40 -0.15 0.00 -0.71 0.00 0.00 33.22 29.36 2rpa n MET 1 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2rpa s SER 2 N 4.54 0.78 -0.29 7.83 0.01 -1.26 -5.03 113.70 120.27 2rpa s SER 2 Ca 0.56 -0.12 -0.00 0.00 1.31 0.00 0.00 55.95 57.70 2rpa s SER 2 Cb 0.07 -0.15 0.25 0.00 0.21 0.00 0.00 66.02 66.40 2rpa s SER 2 CO 0.05 0.05 1.85 -0.11 0.41 0.00 0.00 173.24 175.50 2rpa n LEU 3 N 3.14 6.01 -0.07 2.44 7.94 -1.26 -4.31 117.00 130.89 2rpa n LEU 3 Ca -0.16 -3.09 -0.06 0.00 -1.11 0.00 0.00 56.01 51.60 2rpa n LEU 3 Cb 0.56 -0.94 -0.02 0.00 0.53 0.00 0.00 43.42 43.55 2rpa n LEU 3 CO 0.25 1.10 -0.42 1.67 -1.11 0.00 0.00 177.39 178.88 2rpa n GLN 4 N 0.15 0.43 0.19 1.96 -0.06 -1.26 -3.60 117.38 115.20 2rpa n GLN 4 Ca 0.30 0.38 0.08 0.00 -2.00 0.00 0.00 57.00 55.76 2rpa n GLN 4 Cb 0.72 -1.49 0.44 0.00 -4.06 0.00 0.00 30.24 25.85 2rpa n GLN 4 CO 0.00 0.00 0.00 0.52 -0.20 0.00 0.00 177.06 177.38 2rpa h MET 5 N -0.89 0.00 0.00 3.69 2.86 -1.98 0.39 114.93 118.99 2rpa h MET 5 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2rpa h MET 5 Cb 0.62 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.28 2rpa h MET 5 CO 0.00 0.00 -0.11 0.82 1.06 0.00 0.00 176.91 178.68 2rpa h ILE 6 N 0.00 0.00 -0.75 -1.22 1.08 -1.83 -3.31 117.51 111.48 2rpa h ILE 6 Ca 0.00 -0.45 -0.04 0.00 -0.39 0.00 0.00 64.86 63.97 2rpa h ILE 6 Cb 0.59 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.30 2rpa h ILE 6 CO 0.00 0.00 0.30 -0.37 -0.69 0.00 0.00 178.15 177.39 2rpa h VAL 7 N -0.45 1.25 -0.91 1.67 -1.51 -1.50 -2.50 116.25 112.30 2rpa h VAL 7 Ca 0.00 -0.79 0.18 0.00 -1.23 0.00 0.00 66.70 64.86 2rpa h VAL 7 Cb 0.11 0.36 -0.07 0.00 -2.13 0.00 0.00 31.29 29.55 2rpa h VAL 7 CO 0.00 0.32 0.59 -0.33 -1.23 0.00 0.00 177.57 176.92 2rpa h GLU 8 N 1.08 0.54 -0.77 5.19 4.39 -0.45 0.11 114.58 124.67 2rpa h GLU 8 Ca 0.25 -0.03 0.17 0.00 0.34 0.00 0.00 59.36 60.09 2rpa h GLU 8 Cb 0.20 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 28.68 2rpa h GLU 8 CO -0.02 0.36 0.52 -0.91 -1.16 0.00 0.00 179.01 177.80 2rpa h ASN 9 N 0.55 0.31 -0.21 1.42 2.35 -1.53 -1.29 115.58 117.18 2rpa h ASN 9 Ca 0.47 0.02 0.03 0.00 -0.55 0.00 0.00 56.30 56.28 2rpa h ASN 9 Cb 0.96 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 39.26 2rpa h ASN 9 CO -0.21 0.15 0.01 0.58 -1.65 0.00 0.00 177.43 176.31 2rpa h VAL 10 N 0.32 0.87 -1.00 2.81 2.07 -0.91 0.24 116.25 120.65 2rpa h VAL 10 Ca 0.38 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.95 2rpa h VAL 10 Cb 1.03 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 31.51 2rpa h VAL 10 CO -0.11 0.02 0.64 0.11 0.02 0.00 0.00 177.57 178.25 2rpa h LYS 11 N 0.08 1.12 -0.19 1.57 1.79 -1.34 0.14 116.57 119.74 2rpa h LYS 11 Ca 0.10 -0.07 -0.11 0.00 -2.18 0.00 0.00 60.65 58.38 2rpa h LYS 11 Cb 0.11 -0.25 -0.00 0.00 -1.58 0.00 0.00 32.23 30.51 2rpa h LYS 11 CO -0.15 0.74 -0.33 1.25 -1.08 0.00 0.00 179.45 179.88 2rpa h LEU 12 N 1.15 0.62 -0.12 2.94 7.12 -1.26 -2.52 115.31 123.25 2rpa h LEU 12 Ca 0.43 -0.54 -0.00 0.00 0.13 0.00 0.00 57.88 57.91 2rpa h LEU 12 Cb 0.20 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.14 2rpa h LEU 12 CO -0.18 1.04 0.06 0.00 -0.13 0.00 0.00 178.44 179.23 2rpa h ALA 13 N 0.60 0.15 -0.75 1.25 0.00 0.00 -2.73 119.26 117.78 2rpa h ALA 13 Ca 0.01 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.90 2rpa h ALA 13 Cb 0.92 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 2rpa h ALA 13 CO 0.07 -0.30 0.45 -0.09 0.00 0.00 0.00 179.25 179.39 2rpa h ARG 14 N 0.07 0.83 -0.49 0.00 9.65 -0.79 -1.15 114.38 122.50 2rpa h ARG 14 Ca 0.04 -0.05 0.07 0.00 -1.10 0.00 0.00 59.98 58.94 2rpa h ARG 14 Cb 0.10 -0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 28.47 2rpa h ARG 14 CO -0.01 0.55 0.33 1.49 2.80 0.00 0.00 179.97 185.14 2rpa h GLU 15 N 0.85 0.36 -0.11 0.20 4.81 -1.24 -1.05 114.58 118.41 2rpa h GLU 15 Ca 0.32 -0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 59.34 2rpa h GLU 15 Cb 0.11 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 2rpa h GLU 15 CO -0.15 0.24 -0.71 1.88 -0.73 0.00 0.00 179.01 179.54 2rpa h TYR 16 N 0.37 0.69 -0.64 0.92 -1.99 -0.93 -2.24 116.97 113.17 2rpa h TYR 16 Ca 0.22 -0.30 -0.05 0.00 2.00 0.00 0.00 58.73 60.60 2rpa h TYR 16 Cb 0.39 -0.11 -0.03 0.00 2.00 0.00 0.00 36.73 38.98 2rpa h TYR 16 CO -0.00 1.07 0.21 0.00 -0.00 0.00 0.00 178.16 179.43 2rpa h ALA 17 N 0.85 0.83 -0.12 3.88 0.00 -0.53 0.81 119.26 124.99 2rpa h ALA 17 Ca -0.03 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 2rpa h ALA 17 Cb 1.29 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2rpa h ALA 17 CO 0.13 0.50 -0.14 -0.07 0.00 0.00 0.00 179.25 179.67 2rpa h LEU 18 N 0.91 0.33 -1.03 0.00 3.38 -1.40 -3.16 115.31 114.34 2rpa h LEU 18 Ca 0.21 -0.49 0.11 0.00 0.09 0.00 0.00 57.88 57.79 2rpa h LEU 18 Cb 0.28 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 40.86 2rpa h LEU 18 CO -0.01 0.76 0.63 -0.07 0.09 0.00 0.00 178.44 179.84 2rpa h LEU 19 N -0.08 0.94 0.00 1.67 4.07 -1.33 -3.45 115.31 117.13 2rpa h LEU 19 Ca 0.02 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.02 2rpa h LEU 19 Cb 0.67 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.26 2rpa h LEU 19 CO 0.03 0.52 0.00 0.61 -1.08 0.00 0.00 178.44 178.52 2rpa n GLY 20 N -1.36 0.40 3.26 0.83 0.00 -0.74 -5.10 105.19 102.49 2rpa n GLY 20 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 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 5.96 -0.12 1.61 3.04 0.28 -4.89 114.94 120.81 2rpa s ASN 21 Ca 0.00 -1.84 -0.04 0.00 0.04 0.00 0.00 52.86 51.02 2rpa s ASN 21 Cb 0.00 -2.12 -0.25 0.00 -1.54 0.00 0.00 41.25 37.34 2rpa s ASN 21 CO 0.00 -0.78 0.35 -1.22 -3.04 0.00 0.00 177.10 172.42 2rpa n TYR 22 N 5.09 1.14 -0.35 0.43 4.02 -1.26 -1.94 117.16 124.29 2rpa n TYR 22 Ca -0.11 0.26 0.12 0.00 -0.01 0.00 0.00 57.90 58.16 2rpa n TYR 22 Cb 0.40 -1.15 0.31 0.00 -0.02 0.00 0.00 39.34 38.88 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 0.06 0.76 -0.03 7.72 3.58 -1.93 0.20 116.42 126.78 2rpa h ASP 23 Ca -0.42 0.10 -0.08 0.00 0.42 0.00 0.00 57.03 57.05 2rpa h ASP 23 Cb 2.03 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 43.03 2rpa h ASP 23 CO 0.08 0.27 -0.20 0.28 -2.88 0.00 0.00 179.24 176.79 2rpa h SER 24 N 0.75 0.40 -0.66 2.28 0.02 -1.96 -2.84 113.55 111.54 2rpa h SER 24 Ca 0.57 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 61.36 2rpa h SER 24 Cb 0.88 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.28 2rpa h SER 24 CO -0.38 0.61 0.24 0.00 -1.14 0.00 0.00 176.83 176.15 2rpa h ALA 25 N 1.43 0.86 -0.36 3.77 0.00 -0.75 -2.55 119.26 121.67 2rpa h ALA 25 Ca 0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2rpa h ALA 25 Cb 0.56 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2rpa h ALA 25 CO 0.04 0.50 0.08 0.52 0.00 0.00 0.00 179.25 180.39 2rpa h MET 26 N 0.94 0.52 -0.31 0.00 2.07 -1.20 -0.31 114.93 116.64 2rpa h MET 26 Ca 0.22 -0.08 -0.01 0.00 -2.07 0.00 0.00 59.70 57.75 2rpa h MET 26 Cb 0.25 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 29.87 2rpa h MET 26 CO -0.01 0.49 0.16 0.28 1.07 0.00 0.00 176.91 178.90 2rpa h VAL 27 N 0.51 1.14 -0.12 -2.22 2.07 -1.32 -0.78 116.25 115.54 2rpa h VAL 27 Ca 0.12 -0.38 -0.09 0.00 0.82 0.00 0.00 66.70 67.16 2rpa h VAL 27 Cb 0.21 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2rpa h VAL 27 CO -0.00 0.14 -0.28 1.88 0.02 0.00 0.00 177.57 179.33 2rpa h TYR 28 N 0.38 0.51 0.11 1.57 -1.99 -1.31 -2.99 116.97 113.24 2rpa h TYR 28 Ca 0.11 -0.20 0.02 0.00 2.00 0.00 0.00 58.73 60.66 2rpa h TYR 28 Cb 0.08 -0.09 -0.04 0.00 2.00 0.00 0.00 36.73 38.68 2rpa h TYR 28 CO -0.03 0.90 -0.29 1.88 -0.00 0.00 0.00 178.16 180.62 2rpa h TYR 29 N -0.02 -0.80 -0.94 4.88 0.05 -1.00 0.88 116.97 120.02 2rpa h TYR 29 Ca -0.00 0.02 0.16 0.00 0.05 0.00 0.00 58.73 58.96 2rpa h TYR 29 Cb 0.89 0.34 -0.10 0.00 1.01 0.00 0.00 36.73 38.87 2rpa h TYR 29 CO 0.11 -0.40 0.55 0.37 -1.05 0.00 0.00 178.16 177.73 2rpa h GLN 30 N -0.51 0.72 -0.26 4.88 -0.00 -1.22 -0.25 115.11 118.47 2rpa h GLN 30 Ca 0.03 -0.04 -0.14 0.00 -0.00 0.00 0.00 58.65 58.50 2rpa h GLN 30 Cb 0.54 -0.16 -0.01 0.00 0.00 0.00 0.00 27.48 27.85 2rpa h GLN 30 CO -0.18 0.48 -0.41 0.78 0.00 0.00 0.00 178.83 179.50 2rpa h GLY 31 N 0.74 0.67 0.93 2.39 0.00 -1.20 -2.78 103.07 103.83 2rpa h GLY 31 Ca 0.52 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 2rpa h GLY 31 CO -0.36 0.61 0.13 -2.08 0.00 0.00 0.00 176.54 174.84 2rpa h VAL 32 N 0.51 1.15 -0.91 4.60 2.07 0.88 0.12 116.25 124.67 2rpa h VAL 32 Ca 0.04 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 2rpa h VAL 32 Cb 0.92 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 2rpa h VAL 32 CO 0.08 0.15 0.52 -0.07 0.02 0.00 0.00 177.57 178.28 2rpa h LEU 33 N 0.30 1.11 -0.20 2.57 -0.00 -1.32 0.55 115.31 118.32 2rpa h LEU 33 Ca 0.09 -0.08 -0.09 0.00 -0.00 0.00 0.00 57.88 57.81 2rpa h LEU 33 Cb 0.12 -0.28 -0.00 0.00 -0.00 0.00 0.00 40.66 40.50 2rpa h LEU 33 CO -0.01 0.86 -0.22 0.44 -0.00 0.00 0.00 178.44 179.52 2rpa h ASP 34 N 1.26 0.54 0.35 -0.43 3.32 -1.24 -2.94 116.42 117.28 2rpa h ASP 34 Ca 0.32 -0.49 -0.12 0.00 0.02 0.00 0.00 57.03 56.76 2rpa h ASP 34 Cb -0.02 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 2rpa h ASP 34 CO -0.06 0.91 -0.51 1.56 -1.72 0.00 0.00 179.24 179.43 2rpa h GLN 35 N 0.17 0.19 0.13 3.56 1.08 -0.50 -3.15 115.11 116.59 2rpa h GLN 35 Ca 0.03 -0.11 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2rpa h GLN 35 Cb 0.77 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.20 2rpa h GLN 35 CO 0.05 0.66 -0.08 0.52 -0.95 0.00 0.00 178.83 179.03 2rpa h MET 36 N 0.15 -0.20 -0.32 1.46 2.86 0.14 -2.61 114.93 116.41 2rpa h MET 36 Ca 0.00 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.72 2rpa h MET 36 Cb 0.96 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 32.61 2rpa h MET 36 CO 0.08 -0.13 -0.04 -0.91 1.06 0.00 0.00 176.91 176.96 2rpa h ASN 37 N -0.21 -0.22 -0.87 1.22 2.35 -1.51 -0.31 115.58 116.04 2rpa h ASN 37 Ca -0.01 0.08 0.21 0.00 -0.55 0.00 0.00 56.30 56.04 2rpa h ASN 37 Cb 0.18 0.16 -0.06 0.00 0.05 0.00 0.00 38.32 38.66 2rpa h ASN 37 CO 0.01 -0.07 0.59 0.11 -1.65 0.00 0.00 177.43 176.41 2rpa h LYS 38 N 0.04 0.27 0.12 0.81 1.57 -1.48 0.17 116.57 118.07 2rpa h LYS 38 Ca 0.15 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 2rpa h LYS 38 Cb 0.22 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2rpa h LYS 38 CO -0.29 0.18 -0.06 -0.92 -0.57 0.00 0.00 179.45 177.79 2rpa h TYR 39 N 0.28 -0.15 -0.47 -1.35 5.03 -0.70 -2.92 116.97 116.69 2rpa h TYR 39 Ca 0.44 -0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.81 2rpa h TYR 39 Cb 1.28 0.05 -0.03 0.00 1.55 0.00 0.00 36.73 39.58 2rpa h TYR 39 CO -0.00 0.33 0.31 -0.07 -1.32 0.00 0.00 178.16 177.41 2rpa h LEU 40 N -0.74 0.33 -1.00 2.82 3.38 -0.56 -0.76 115.31 118.79 2rpa h LEU 40 Ca -0.02 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 2rpa h LEU 40 Cb 0.54 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2rpa h LEU 40 CO 0.03 0.22 -0.19 0.22 0.09 0.00 0.00 178.44 178.80 2rpa h TYR 41 N 0.38 0.55 0.00 1.13 5.03 -1.00 -2.00 116.97 121.05 2rpa h TYR 41 Ca 0.20 -0.10 0.00 0.00 2.58 0.00 0.00 58.73 61.41 2rpa h TYR 41 Cb 0.33 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.47 2rpa h TYR 41 CO -0.00 0.66 0.00 0.43 -1.32 0.00 0.00 178.16 177.93 2rpa n SER 42 N -4.16 0.00 -4.77 -2.11 7.64 -0.31 -4.81 113.62 105.10 2rpa n SER 42 Ca 0.00 0.48 -0.38 0.00 1.01 0.00 0.00 58.87 59.99 2rpa n SER 42 Cb 0.37 -0.49 -0.03 0.00 -1.01 0.00 0.00 64.21 63.04 2rpa n SER 42 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2rpa s VAL 43 N -2.99 3.46 -0.17 0.44 1.01 -0.75 -4.97 120.40 116.44 2rpa s VAL 43 Ca 0.12 1.22 0.14 0.00 0.00 0.00 0.00 61.98 63.45 2rpa s VAL 43 Cb 0.15 -3.68 -0.20 0.00 0.00 0.00 0.00 36.38 32.66 2rpa s VAL 43 CO 0.42 0.10 0.04 0.29 0.00 0.00 0.00 175.10 175.95 2rpa n LYS 44 N 0.20 1.24 -3.04 2.72 5.02 -1.26 -4.86 118.16 118.17 2rpa n LYS 44 Ca 0.04 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.90 2rpa n LYS 44 Cb 0.48 -1.42 -0.05 0.00 -0.02 0.00 0.00 35.03 34.01 2rpa n LYS 44 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2rpa s ASP 45 N -5.11 6.27 0.51 4.39 2.15 -1.26 -4.91 116.67 118.70 2rpa s ASP 45 Ca -0.10 -0.69 0.29 0.00 0.43 0.00 0.00 52.55 52.48 2rpa s ASP 45 Cb 0.05 -2.35 1.41 0.00 -0.30 0.00 0.00 42.92 41.73 2rpa s ASP 45 CO 0.66 -1.02 1.86 0.71 -0.17 0.00 0.00 175.17 177.21 2rpa h THR 46 N 5.92 0.54 -0.54 1.71 1.35 -1.98 0.34 112.91 120.25 2rpa h THR 46 Ca -0.27 -0.03 -0.06 0.00 -0.55 0.00 0.00 66.41 65.50 2rpa h THR 46 Cb 1.09 0.43 -0.02 0.00 -1.73 0.00 0.00 68.15 67.92 2rpa h THR 46 CO 1.01 0.02 0.08 0.45 -0.25 0.00 0.00 175.52 176.83 2rpa h HIS 47 N 0.10 0.89 0.10 4.73 3.86 -1.98 0.50 115.15 123.36 2rpa h HIS 47 Ca 0.48 -0.10 -0.00 0.00 -1.16 0.00 0.00 60.37 59.58 2rpa h HIS 47 Cb 1.73 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 29.95 2rpa h HIS 47 CO -0.00 0.78 -0.05 1.25 0.86 0.00 0.00 177.93 180.77 2rpa h LEU 48 N 0.81 -0.11 -1.36 2.43 6.46 -0.76 -3.03 115.31 119.75 2rpa h LEU 48 Ca 0.17 -0.46 -0.07 0.00 -0.12 0.00 0.00 57.88 57.40 2rpa h LEU 48 Cb 0.37 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.32 2rpa h LEU 48 CO 0.01 0.46 -0.32 0.08 -0.62 0.00 0.00 178.44 178.05 2rpa h ARG 49 N -0.76 0.00 -0.32 1.25 0.11 -1.39 -2.60 114.38 110.67 2rpa h ARG 49 Ca -0.01 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.02 2rpa h ARG 49 Cb 0.56 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.63 2rpa h ARG 49 CO 0.02 0.32 0.02 0.37 0.10 0.00 0.00 179.97 180.80 2rpa h GLN 50 N 0.00 0.49 -0.31 0.08 5.75 -0.01 -1.88 115.11 119.22 2rpa h GLN 50 Ca -0.00 -0.09 -0.16 0.00 -0.15 0.00 0.00 58.65 58.25 2rpa h GLN 50 Cb 0.58 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.05 2rpa h GLN 50 CO 0.04 0.50 -0.43 -0.22 -2.65 0.00 0.00 178.83 176.07 2rpa h LYS 51 N 0.47 0.78 -0.20 1.69 1.63 -1.33 -3.07 116.57 116.54 2rpa h LYS 51 Ca 0.11 -0.43 -0.11 0.00 -0.85 0.00 0.00 60.65 59.37 2rpa h LYS 51 Cb 0.28 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.92 2rpa h LYS 51 CO 0.01 1.06 -0.34 -1.49 -3.45 0.00 0.00 179.45 175.23 2rpa h TRP 52 N 0.63 0.49 -0.67 1.91 4.06 -1.41 -2.86 115.95 118.11 2rpa h TRP 52 Ca 0.04 -0.12 0.11 0.00 2.06 0.00 0.00 58.89 60.98 2rpa h TRP 52 Cb 1.00 -0.11 -0.04 0.00 -1.00 0.00 0.00 29.16 29.00 2rpa h TRP 52 CO 0.05 0.72 0.45 1.96 -3.56 0.00 0.00 178.44 178.06 2rpa h GLN 53 N 0.37 0.44 -0.45 0.49 1.08 -1.25 0.20 115.11 115.98 2rpa h GLN 53 Ca 0.04 -0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 57.09 2rpa h GLN 53 Cb 0.78 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.10 2rpa h GLN 53 CO 0.06 0.29 -0.21 0.37 -0.95 0.00 0.00 178.83 178.39 2rpa h GLN 54 N 0.45 0.94 -0.12 1.46 4.15 -1.55 -3.07 115.11 117.37 2rpa h GLN 54 Ca 0.32 -0.40 -0.20 0.00 0.77 0.00 0.00 58.65 59.13 2rpa h GLN 54 Cb 0.62 -0.03 0.01 0.00 0.21 0.00 0.00 27.48 28.29 2rpa h GLN 54 CO -0.10 1.07 -0.71 0.28 -1.93 0.00 0.00 178.83 177.44 2rpa h VAL 55 N 0.78 1.31 -0.77 2.39 2.07 -1.23 -3.15 116.25 117.64 2rpa h VAL 55 Ca 0.10 -1.95 0.22 0.00 0.82 0.00 0.00 66.70 65.89 2rpa h VAL 55 Cb 0.78 2.11 -0.03 0.00 -1.52 0.00 0.00 31.29 32.62 2rpa h VAL 55 CO 0.06 0.61 0.55 -0.25 0.02 0.00 0.00 177.57 178.56 2rpa h TRP 56 N 0.37 0.08 0.04 1.57 7.01 -0.65 -0.15 115.95 124.22 2rpa h TRP 56 Ca -0.05 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 60.95 2rpa h TRP 56 Cb 1.35 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.38 2rpa h TRP 56 CO 0.10 0.02 -0.02 1.96 -2.79 0.00 0.00 178.44 177.71 2rpa h GLN 57 N 0.06 -0.06 -0.21 2.65 4.20 -1.49 -2.72 115.11 117.54 2rpa h GLN 57 Ca 0.37 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.97 2rpa h GLN 57 Cb 1.39 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.17 2rpa h GLN 57 CO -0.03 0.15 -0.35 1.05 -0.67 0.00 0.00 178.83 178.97 2rpa h GLU 58 N -0.25 0.46 -0.90 1.46 4.11 -1.28 -2.90 114.58 115.28 2rpa h GLU 58 Ca -0.01 -0.21 0.09 0.00 0.07 0.00 0.00 59.36 59.31 2rpa h GLU 58 Cb 0.23 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.41 2rpa h GLU 58 CO 0.01 0.75 0.58 0.82 0.07 0.00 0.00 179.01 181.24 2rpa h ILE 59 N 0.39 0.99 -0.14 -1.06 1.08 -0.97 0.15 117.51 117.96 2rpa h ILE 59 Ca 0.04 -0.31 -0.18 0.00 -0.39 0.00 0.00 64.86 64.02 2rpa h ILE 59 Cb 0.80 -0.01 0.01 0.00 -3.07 0.00 0.00 36.82 34.55 2rpa h ILE 59 CO 0.07 0.17 -0.63 -1.13 -0.69 0.00 0.00 178.15 175.94 2rpa h ASN 60 N 0.92 0.79 -0.58 1.72 -1.24 -1.31 -3.21 115.58 112.66 2rpa h ASN 60 Ca 0.41 -0.63 -0.05 0.00 0.71 0.00 0.00 56.30 56.74 2rpa h ASN 60 Cb 0.36 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.16 2rpa h ASN 60 CO -0.17 1.29 0.18 0.58 -1.29 0.00 0.00 177.43 178.02 2rpa h VAL 61 N 0.34 1.24 -0.61 2.57 2.07 -1.18 -2.92 116.25 117.75 2rpa h VAL 61 Ca -0.04 -0.81 0.12 0.00 0.82 0.00 0.00 66.70 66.79 2rpa h VAL 61 Cb 1.26 0.67 -0.09 0.00 -1.52 0.00 0.00 31.29 31.62 2rpa h VAL 61 CO 0.13 0.30 0.13 -0.08 0.02 0.00 0.00 177.57 178.08 2rpa h GLU 62 N 0.81 0.25 -0.09 1.57 4.81 -0.77 0.15 114.58 121.31 2rpa h GLU 62 Ca 0.19 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 2rpa h GLU 62 Cb 0.28 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2rpa h GLU 62 CO -0.01 0.17 -0.07 0.00 -0.73 0.00 0.00 179.01 178.37 2rpa h ALA 63 N 1.49 1.72 -0.54 2.92 0.00 -1.52 -2.40 119.26 120.93 2rpa h ALA 63 Ca 0.32 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 2rpa h ALA 63 Cb 0.49 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2rpa h ALA 63 CO -0.41 0.21 -0.13 -0.22 0.00 0.00 0.00 179.25 178.70 2rpa h LYS 64 N 0.13 1.04 -0.27 0.00 3.11 -0.57 -3.13 116.57 116.88 2rpa h LYS 64 Ca 0.03 -0.39 0.05 0.00 -2.81 0.00 0.00 60.65 57.52 2rpa h LYS 64 Cb 0.21 -0.06 -0.04 0.00 -1.00 0.00 0.00 32.23 31.34 2rpa h LYS 64 CO 0.01 1.09 -0.01 1.96 -2.81 0.00 0.00 179.45 179.69 2rpa h GLN 65 N 0.92 0.07 -0.88 1.90 4.20 -0.82 -1.33 115.11 119.16 2rpa h GLN 65 Ca 0.14 -0.00 0.19 0.00 0.06 0.00 0.00 58.65 59.03 2rpa h GLN 65 Cb 0.70 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.40 2rpa h GLN 65 CO 0.05 0.05 0.58 0.28 -0.67 0.00 0.00 178.83 179.12 2rpa h VAL 66 N 0.07 0.71 -0.76 -0.54 2.07 -1.50 0.12 116.25 116.43 2rpa h VAL 66 Ca 0.13 -0.15 0.18 0.00 0.82 0.00 0.00 66.70 67.67 2rpa h VAL 66 Cb 0.17 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.12 2rpa h VAL 66 CO -0.22 0.08 0.52 0.50 0.02 0.00 0.00 177.57 178.47 2rpa h LYS 67 N 0.45 0.27 0.14 1.57 1.63 -1.23 0.24 116.57 119.63 2rpa h LYS 67 Ca 0.45 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 60.23 2rpa h LYS 67 Cb 1.06 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.63 2rpa h LYS 67 CO -0.18 0.18 -0.07 0.22 -3.45 0.00 0.00 179.45 176.15 2rpa h ASP 68 N 0.27 -0.16 -0.79 4.20 1.82 -0.81 -3.32 116.42 117.64 2rpa h ASP 68 Ca 0.37 -0.03 0.18 0.00 -0.39 0.00 0.00 57.03 57.17 2rpa h ASP 68 Cb 1.06 0.04 -0.05 0.00 0.68 0.00 0.00 39.33 41.06 2rpa h ASP 68 CO -0.09 0.34 0.54 0.16 -1.61 0.00 0.00 179.24 178.57 2rpa h ILE 69 N -1.04 0.71 -3.70 2.25 3.07 -1.35 -3.40 117.51 114.04 2rpa h ILE 69 Ca -0.02 -0.10 -0.50 0.00 1.55 0.00 0.00 64.86 65.79 2rpa h ILE 69 Cb 0.18 0.39 -0.02 0.00 -0.27 0.00 0.00 36.82 37.10 2rpa h ILE 69 CO 0.03 0.05 0.29 0.00 -1.05 0.00 0.00 178.15 177.48 2rpa s MET 70 N -5.30 4.71 0.01 0.16 0.23 0.80 -5.07 119.30 114.84 2rpa s MET 70 Ca -0.07 1.35 -0.07 0.00 -1.03 0.00 0.00 55.69 55.87 2rpa s MET 70 Cb 0.21 -3.17 -0.00 0.00 -1.53 0.00 0.00 34.83 30.34 2rpa s MET 70 CO 0.77 0.49 0.13 0.21 -2.03 0.00 0.00 175.02 174.58 2rpa s LYS 71 N -1.36 0.49 0.00 3.16 2.47 -1.26 -4.85 119.74 118.39 2rpa s LYS 71 Ca 0.41 -0.45 0.00 0.00 -1.56 0.00 0.00 55.97 54.37 2rpa s LYS 71 Cb -0.24 0.20 0.00 0.00 -1.46 0.00 0.00 37.83 36.34 2rpa s LYS 71 CO 0.29 -0.12 0.33 0.25 0.16 0.00 0.00 175.35 176.26