#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 -0.13 -0.14 -3.46 1.47 -1.26 -5.15 116.67 108.00 2rpa s ASP -4 Ca 0.00 0.25 -0.03 0.00 1.18 0.00 0.00 52.55 53.95 2rpa s ASP -4 Cb 0.00 0.26 -0.03 0.00 -0.34 0.00 0.00 42.92 42.82 2rpa s ASP -4 CO 0.00 -0.05 -0.04 -1.00 0.68 0.00 0.00 175.17 174.76 2rpa s HIS -3 N 0.04 3.02 0.38 2.11 3.76 -1.26 -5.08 115.29 118.26 2rpa s HIS -3 Ca -0.00 -0.23 0.02 0.00 -0.15 0.00 0.00 55.06 54.69 2rpa s HIS -3 Cb -0.01 -1.92 0.02 0.00 1.11 0.00 0.00 32.58 31.78 2rpa s HIS -3 CO 0.00 0.04 0.15 -1.33 -0.85 0.00 0.00 174.74 172.75 2rpa n MET -2 N 3.29 1.00 -1.62 1.40 2.81 -1.26 -5.06 117.12 117.69 2rpa n MET -2 Ca -0.18 -2.58 -0.56 0.00 -1.81 0.00 0.00 57.70 52.58 2rpa n MET -2 Cb 0.53 0.48 -0.07 0.00 -0.71 0.00 0.00 33.22 33.45 2rpa n MET -2 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 2rpa n THR -1 N -1.18 0.08 -0.96 2.03 5.66 -1.26 -4.61 114.28 114.04 2rpa n THR -1 Ca -0.08 -0.01 -0.45 0.00 -3.05 0.00 0.00 64.05 60.45 2rpa n THR -1 Cb 0.46 -0.79 -0.09 0.00 -1.55 0.00 0.00 70.33 68.36 2rpa n THR -1 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 175.07 172.82 2rpa n MET 1 N 3.22 0.00 -3.82 1.09 1.56 -1.26 -4.82 117.12 113.09 2rpa n MET 1 Ca 0.22 0.00 -0.01 0.00 -0.27 0.00 0.00 57.70 57.63 2rpa n MET 1 Cb 0.14 -1.14 0.01 0.00 2.15 0.00 0.00 33.22 34.37 2rpa n MET 1 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 2rpa s SER 2 N 4.62 -0.04 0.00 6.12 0.15 -1.26 -5.02 113.70 118.26 2rpa s SER 2 Ca 0.92 -0.42 0.21 0.00 0.70 0.00 0.00 55.95 57.36 2rpa s SER 2 Cb -1.14 0.36 0.53 0.00 -1.71 0.00 0.00 66.02 64.06 2rpa s SER 2 CO 0.50 -0.69 1.45 -0.11 1.20 0.00 0.00 173.24 175.59 2rpa n LEU 3 N -0.65 3.20 0.03 3.45 7.94 -1.26 -4.43 117.00 125.28 2rpa n LEU 3 Ca -0.03 -1.49 -0.11 0.00 -1.11 0.00 0.00 56.01 53.27 2rpa n LEU 3 Cb 0.60 -0.32 -0.05 0.00 0.53 0.00 0.00 43.42 44.19 2rpa n LEU 3 CO 0.16 0.75 0.81 -0.61 -1.11 0.00 0.00 177.39 177.39 2rpa h GLN 4 N 3.81 -0.13 0.00 1.96 5.75 -1.95 0.12 115.11 124.67 2rpa h GLN 4 Ca 0.00 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 2rpa h GLN 4 Cb 0.85 0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.43 2rpa h GLN 4 CO 0.00 -0.08 0.25 1.98 -2.65 0.00 0.00 178.83 178.33 2rpa h MET 5 N -0.13 0.00 0.00 1.69 4.05 -1.95 0.44 114.93 119.03 2rpa h MET 5 Ca 0.05 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 2rpa h MET 5 Cb 0.20 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.00 2rpa h MET 5 CO -0.12 0.00 -0.32 -0.89 0.23 0.00 0.00 176.91 175.81 2rpa n ILE 6 N -2.69 0.66 -0.04 1.77 2.08 -0.15 -4.23 119.36 116.77 2rpa n ILE 6 Ca -0.02 0.36 0.16 0.00 0.56 0.00 0.00 62.75 63.81 2rpa n ILE 6 Cb 0.29 -1.90 0.59 0.00 -0.75 0.00 0.00 39.64 37.88 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 -0.46 0.81 -0.78 1.39 -1.51 -0.68 -0.47 116.25 114.55 2rpa h VAL 7 Ca 0.00 -0.07 0.08 0.00 -1.23 0.00 0.00 66.70 65.48 2rpa h VAL 7 Cb 0.32 0.59 -0.05 0.00 -2.13 0.00 0.00 31.29 30.02 2rpa h VAL 7 CO 0.00 0.04 0.51 -0.33 -1.23 0.00 0.00 177.57 176.56 2rpa h GLU 8 N 0.20 0.75 -0.60 5.19 4.39 -0.31 -0.80 114.58 123.41 2rpa h GLU 8 Ca 0.26 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.95 2rpa h GLU 8 Cb 0.77 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 2rpa h GLU 8 CO -0.05 0.50 0.40 -0.91 -1.16 0.00 0.00 179.01 177.79 2rpa h ASN 9 N 0.78 0.60 -0.24 1.42 2.35 -1.25 -2.47 115.58 116.77 2rpa h ASN 9 Ca 0.35 -0.01 0.04 0.00 -0.55 0.00 0.00 56.30 56.14 2rpa h ASN 9 Cb 0.35 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.54 2rpa h ASN 9 CO -0.13 0.41 -0.02 0.58 -1.65 0.00 0.00 177.43 176.62 2rpa h VAL 10 N 0.70 0.81 -0.76 2.81 2.07 -1.23 -0.91 116.25 119.74 2rpa h VAL 10 Ca 0.24 -0.02 0.13 0.00 0.82 0.00 0.00 66.70 67.88 2rpa h VAL 10 Cb 0.09 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 2rpa h VAL 10 CO -0.07 0.01 0.50 0.11 0.02 0.00 0.00 177.57 178.15 2rpa h LYS 11 N 0.04 0.49 -0.12 1.57 1.79 -1.48 0.18 116.57 119.04 2rpa h LYS 11 Ca 0.11 -0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.48 2rpa h LYS 11 Cb 0.16 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2rpa h LYS 11 CO -0.21 0.33 -0.21 1.25 -1.08 0.00 0.00 179.45 179.53 2rpa h LEU 12 N 0.51 0.40 -0.82 2.94 7.12 -1.21 -2.68 115.31 121.57 2rpa h LEU 12 Ca 0.37 -0.54 -0.07 0.00 0.13 0.00 0.00 57.88 57.76 2rpa h LEU 12 Cb 0.72 -0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 40.72 2rpa h LEU 12 CO -0.13 0.86 0.08 0.00 -0.13 0.00 0.00 178.44 179.12 2rpa h ALA 13 N 0.54 1.03 -0.26 1.25 0.00 -0.24 -2.58 119.26 119.00 2rpa h ALA 13 Ca 0.01 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 2rpa h ALA 13 Cb 0.79 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2rpa h ALA 13 CO 0.05 0.62 -0.04 -0.09 0.00 0.00 0.00 179.25 179.79 2rpa h ARG 14 N 0.91 0.40 -0.16 0.00 2.43 -0.70 -2.13 114.38 115.13 2rpa h ARG 14 Ca 0.18 -0.08 -0.12 0.00 -0.81 0.00 0.00 59.98 59.15 2rpa h ARG 14 Cb 0.42 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 2rpa h ARG 14 CO 0.01 0.46 -0.43 1.49 -1.51 0.00 0.00 179.97 180.00 2rpa h GLU 15 N 0.39 0.37 -0.27 0.20 4.81 -1.11 -3.04 114.58 115.93 2rpa h GLU 15 Ca 0.08 -0.19 -0.18 0.00 -0.13 0.00 0.00 59.36 58.95 2rpa h GLU 15 Cb 0.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2rpa h GLU 15 CO 0.01 0.74 -0.52 1.88 -0.73 0.00 0.00 179.01 180.39 2rpa h TYR 16 N 0.31 1.04 -0.36 0.92 -1.99 -1.16 -2.71 116.97 113.03 2rpa h TYR 16 Ca 0.02 -0.37 0.04 0.00 2.00 0.00 0.00 58.73 60.42 2rpa h TYR 16 Cb 0.88 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 39.40 2rpa h TYR 16 CO 0.02 1.19 0.24 0.00 -0.00 0.00 0.00 178.16 179.62 2rpa h ALA 17 N 0.66 1.93 0.11 3.88 0.00 -1.30 0.48 119.26 125.02 2rpa h ALA 17 Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2rpa h ALA 17 Cb 1.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2rpa h ALA 17 CO 0.12 0.01 -0.05 -0.07 0.00 0.00 0.00 179.25 179.26 2rpa h LEU 18 N 0.32 -0.12 -1.08 0.00 3.38 -1.43 -3.28 115.31 113.10 2rpa h LEU 18 Ca 0.15 -0.45 0.20 0.00 0.09 0.00 0.00 57.88 57.87 2rpa h LEU 18 Cb 0.20 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.87 2rpa h LEU 18 CO -0.03 0.50 0.61 -0.07 0.09 0.00 0.00 178.44 179.54 2rpa h LEU 19 N -0.86 0.72 0.00 1.67 4.07 -1.23 -3.45 115.31 116.24 2rpa h LEU 19 Ca -0.01 0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.04 2rpa h LEU 19 Cb 0.56 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.27 2rpa h LEU 19 CO 0.02 0.24 0.00 0.61 -1.08 0.00 0.00 178.44 178.24 2rpa n GLY 20 N -1.35 0.63 3.42 0.83 0.00 -0.71 -5.08 105.19 102.92 2rpa n GLY 20 Ca 0.23 0.00 -0.45 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 6.80 0.02 1.61 3.04 0.08 -4.81 114.94 121.68 2rpa s ASN 21 Ca 0.00 -2.49 -0.09 0.00 0.04 0.00 0.00 52.86 50.33 2rpa s ASN 21 Cb 0.00 -2.34 -0.31 0.00 -1.54 0.00 0.00 41.25 37.06 2rpa s ASN 21 CO 0.00 -0.84 0.94 1.88 -3.04 0.00 0.00 177.10 176.05 2rpa h TYR 22 N 8.12 0.67 -0.92 0.43 -1.99 -1.83 -3.07 116.97 118.39 2rpa h TYR 22 Ca 0.18 -0.49 0.17 0.00 2.00 0.00 0.00 58.73 60.59 2rpa h TYR 22 Cb 0.99 -0.03 -0.08 0.00 2.00 0.00 0.00 36.73 39.61 2rpa h TYR 22 CO 1.10 1.46 0.59 0.22 -0.00 0.00 0.00 178.16 181.53 2rpa h ASP 23 N 0.10 0.61 0.64 3.88 3.58 -1.94 0.27 116.42 123.56 2rpa h ASP 23 Ca -0.24 0.05 -0.09 0.00 0.42 0.00 0.00 57.03 57.17 2rpa h ASP 23 Cb 2.07 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 43.04 2rpa h ASP 23 CO 0.21 0.27 -0.44 0.28 -2.88 0.00 0.00 179.24 176.68 2rpa h SER 24 N 0.63 0.00 0.32 2.28 0.02 -1.96 -2.97 113.55 111.87 2rpa h SER 24 Ca 0.48 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.25 2rpa h SER 24 Cb 0.89 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 2rpa h SER 24 CO -0.24 0.44 -0.75 0.00 -1.14 0.00 0.00 176.83 175.15 2rpa h ALA 25 N 1.56 0.60 0.62 3.77 0.00 -0.58 -3.00 119.26 122.23 2rpa h ALA 25 Ca -0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 2rpa h ALA 25 Cb 0.88 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.62 2rpa h ALA 25 CO 0.06 0.78 -0.30 0.52 0.00 0.00 0.00 179.25 180.31 2rpa h MET 26 N 0.23 -0.81 -0.96 0.00 2.07 -1.17 0.23 114.93 114.53 2rpa h MET 26 Ca -0.03 0.06 0.15 0.00 -2.07 0.00 0.00 59.70 57.80 2rpa h MET 26 Cb 1.33 0.18 -0.08 0.00 -1.87 0.00 0.00 31.60 31.16 2rpa h MET 26 CO 0.12 -0.50 0.61 -0.39 1.07 0.00 0.00 176.91 177.82 2rpa h VAL 27 N -0.97 0.83 0.05 -2.22 -1.51 -1.63 0.35 116.25 111.14 2rpa h VAL 27 Ca -0.09 -0.28 -0.00 0.00 -1.23 0.00 0.00 66.70 65.11 2rpa h VAL 27 Cb 0.68 -0.04 0.00 0.00 -2.13 0.00 0.00 31.29 29.80 2rpa h VAL 27 CO 0.14 0.15 -0.02 1.88 -1.23 0.00 0.00 177.57 178.49 2rpa h TYR 28 N 0.80 -0.06 -0.14 5.19 -1.99 -1.37 -2.91 116.97 116.50 2rpa h TYR 28 Ca 0.50 -0.00 0.04 0.00 2.00 0.00 0.00 58.73 61.27 2rpa h TYR 28 Cb 0.70 0.02 -0.04 0.00 2.00 0.00 0.00 36.73 39.41 2rpa h TYR 28 CO -0.00 0.45 -0.13 1.88 -0.00 0.00 0.00 178.16 180.36 2rpa h TYR 29 N -0.60 -0.32 -0.75 4.88 0.05 0.07 -0.59 116.97 119.71 2rpa h TYR 29 Ca -0.01 0.02 0.16 0.00 0.05 0.00 0.00 58.73 58.96 2rpa h TYR 29 Cb 0.53 0.17 -0.05 0.00 1.01 0.00 0.00 36.73 38.39 2rpa h TYR 29 CO 0.10 -0.19 0.51 0.37 -1.05 0.00 0.00 178.16 177.90 2rpa h GLN 30 N -0.15 0.32 -0.03 4.88 5.75 -1.03 -1.60 115.11 123.26 2rpa h GLN 30 Ca 0.10 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.54 2rpa h GLN 30 Cb 0.29 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.77 2rpa h GLN 30 CO -0.23 0.21 -0.14 0.78 -2.65 0.00 0.00 178.83 176.80 2rpa h GLY 31 N 0.33 0.15 0.57 2.39 0.00 -0.96 -2.86 103.07 102.69 2rpa h GLY 31 Ca 0.37 -0.22 0.03 0.00 0.00 0.00 0.00 47.33 47.51 2rpa h GLY 31 CO -0.10 0.19 -0.14 -2.08 0.00 0.00 0.00 176.54 174.41 2rpa h VAL 32 N -0.47 0.63 -0.96 4.60 2.07 -0.42 0.41 116.25 122.11 2rpa h VAL 32 Ca -0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.60 2rpa h VAL 32 Cb 0.81 0.63 -0.07 0.00 -1.52 0.00 0.00 31.29 31.14 2rpa h VAL 32 CO 0.03 0.00 0.60 -0.07 0.02 0.00 0.00 177.57 178.15 2rpa h LEU 33 N -0.21 0.92 -0.28 2.57 3.38 -1.43 0.47 115.31 120.73 2rpa h LEU 33 Ca 0.07 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2rpa h LEU 33 Cb 0.30 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2rpa h LEU 33 CO -0.18 0.54 0.03 0.44 0.09 0.00 0.00 178.44 179.35 2rpa h ASP 34 N 1.02 0.47 0.35 -0.43 5.19 -1.14 -2.15 116.42 119.73 2rpa h ASP 34 Ca 0.45 -0.28 -0.11 0.00 -0.62 0.00 0.00 57.03 56.47 2rpa h ASP 34 Cb 0.33 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.70 2rpa h ASP 34 CO -0.22 0.63 -0.47 1.56 -3.12 0.00 0.00 179.24 177.62 2rpa h GLN 35 N 0.29 0.15 -0.13 3.56 1.08 -0.20 -3.10 115.11 116.76 2rpa h GLN 35 Ca 0.08 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2rpa h GLN 35 Cb 0.38 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 2rpa h GLN 35 CO 0.01 0.59 0.03 0.52 -0.95 0.00 0.00 178.83 179.03 2rpa h MET 36 N 0.12 0.21 -0.43 1.46 2.86 0.10 -3.02 114.93 116.23 2rpa h MET 36 Ca 0.01 -0.05 0.07 0.00 -2.06 0.00 0.00 59.70 57.67 2rpa h MET 36 Cb 0.88 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.45 2rpa h MET 36 CO 0.07 0.37 0.06 -0.91 1.06 0.00 0.00 176.91 177.56 2rpa h ASN 37 N 0.01 -0.04 -0.91 1.22 2.35 -1.35 -0.41 115.58 116.45 2rpa h ASN 37 Ca 0.04 0.08 0.20 0.00 -0.55 0.00 0.00 56.30 56.07 2rpa h ASN 37 Cb 0.26 0.12 -0.07 0.00 0.05 0.00 0.00 38.32 38.68 2rpa h ASN 37 CO 0.00 0.01 0.60 0.11 -1.65 0.00 0.00 177.43 176.50 2rpa h LYS 38 N 0.19 0.44 0.22 0.81 1.57 -1.47 -0.41 116.57 117.92 2rpa h LYS 38 Ca 0.21 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 2rpa h LYS 38 Cb 0.27 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2rpa h LYS 38 CO -0.30 0.29 -0.10 -0.92 -0.57 0.00 0.00 179.45 177.85 2rpa h TYR 39 N 0.45 -0.27 -0.76 -1.35 5.03 -0.98 -2.19 116.97 116.91 2rpa h TYR 39 Ca 0.48 -0.01 0.17 0.00 2.58 0.00 0.00 58.73 61.95 2rpa h TYR 39 Cb 1.12 0.09 -0.05 0.00 1.55 0.00 0.00 36.73 39.44 2rpa h TYR 39 CO -0.00 0.12 0.51 -0.07 -1.32 0.00 0.00 178.16 177.40 2rpa h LEU 40 N -0.83 0.31 -0.47 2.82 3.38 -0.63 0.16 115.31 120.04 2rpa h LEU 40 Ca -0.03 0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 2rpa h LEU 40 Cb 0.51 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2rpa h LEU 40 CO 0.05 0.15 -0.76 0.22 0.09 0.00 0.00 178.44 178.19 2rpa h TYR 41 N 0.32 0.13 -0.14 1.13 5.03 -1.08 -2.94 116.97 119.43 2rpa h TYR 41 Ca 0.37 -0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.62 2rpa h TYR 41 Cb 0.99 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 39.25 2rpa h TYR 41 CO -0.00 0.82 0.00 0.45 -1.32 0.00 0.00 178.16 178.10 2rpa n SER 42 N -3.69 1.10 -4.91 -2.11 2.88 0.52 -4.86 113.62 102.55 2rpa n SER 42 Ca -0.02 -2.05 -0.28 0.00 -1.33 0.00 0.00 58.87 55.19 2rpa n SER 42 Cb 0.73 -0.22 -0.03 0.00 -0.75 0.00 0.00 64.21 63.94 2rpa n SER 42 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2rpa s VAL 43 N -1.68 5.07 -0.12 2.46 1.01 -1.01 -5.01 120.40 121.12 2rpa s VAL 43 Ca 0.10 -0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.11 2rpa s VAL 43 Cb 0.06 -3.73 -0.11 0.00 0.00 0.00 0.00 36.38 32.60 2rpa s VAL 43 CO 0.06 -0.28 0.22 0.29 0.00 0.00 0.00 175.10 175.38 2rpa n LYS 44 N -0.86 1.61 -3.66 2.72 4.76 -1.26 -4.96 118.16 116.50 2rpa n LYS 44 Ca -0.02 -0.05 -0.37 0.00 -2.87 0.00 0.00 58.31 55.00 2rpa n LYS 44 Cb 0.54 -1.08 -0.11 0.00 -1.84 0.00 0.00 35.03 32.54 2rpa n LYS 44 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2rpa s ASP 45 N -2.51 5.82 0.27 4.39 1.01 -1.26 -4.98 116.67 119.41 2rpa s ASP 45 Ca -0.01 -0.03 -0.03 0.00 0.71 0.00 0.00 52.55 53.19 2rpa s ASP 45 Cb 0.05 -2.06 0.35 0.00 1.01 0.00 0.00 42.92 42.26 2rpa s ASP 45 CO 0.32 -0.01 1.87 0.71 0.21 0.00 0.00 175.17 178.26 2rpa h THR 46 N 5.31 1.23 -0.01 -1.27 1.35 -1.99 -1.90 112.91 115.63 2rpa h THR 46 Ca -0.36 -0.66 -0.06 0.00 -0.55 0.00 0.00 66.41 64.77 2rpa h THR 46 Cb 1.18 0.31 -0.01 0.00 -1.73 0.00 0.00 68.15 67.91 2rpa h THR 46 CO 0.58 0.28 -0.29 0.45 -0.25 0.00 0.00 175.52 176.29 2rpa h HIS 47 N 1.03 0.02 0.10 4.73 3.86 -1.97 0.65 115.15 123.56 2rpa h HIS 47 Ca 0.25 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.45 2rpa h HIS 47 Cb 0.11 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.58 2rpa h HIS 47 CO 0.01 0.32 -0.05 1.25 0.86 0.00 0.00 177.93 180.32 2rpa h LEU 48 N 0.02 -0.12 -0.62 2.43 7.12 -1.79 -3.18 115.31 119.18 2rpa h LEU 48 Ca 0.00 -0.46 -0.15 0.00 0.13 0.00 0.00 57.88 57.41 2rpa h LEU 48 Cb 0.53 0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 40.67 2rpa h LEU 48 CO 0.04 0.46 -0.68 0.08 -0.13 0.00 0.00 178.44 178.21 2rpa h ARG 49 N -0.77 0.08 -0.96 1.25 0.11 -1.34 -3.15 114.38 109.61 2rpa h ARG 49 Ca -0.01 -0.06 0.12 0.00 0.10 0.00 0.00 59.98 60.13 2rpa h ARG 49 Cb 0.56 0.01 -0.08 0.00 1.11 0.00 0.00 29.97 31.58 2rpa h ARG 49 CO 0.02 0.72 0.61 0.37 0.10 0.00 0.00 179.97 181.80 2rpa h GLN 50 N 0.05 0.88 -0.05 0.08 4.15 0.24 0.03 115.11 120.50 2rpa h GLN 50 Ca -0.01 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 2rpa h GLN 50 Cb 1.20 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 28.69 2rpa h GLN 50 CO 0.09 0.59 -0.02 -0.22 -1.93 0.00 0.00 178.83 177.34 2rpa h LYS 51 N 0.91 0.10 -0.45 1.69 3.64 -1.52 -3.06 116.57 117.88 2rpa h LYS 51 Ca 0.47 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.84 2rpa h LYS 51 Cb 0.52 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 2rpa h LYS 51 CO -0.24 0.49 0.30 -1.49 -2.27 0.00 0.00 179.45 176.24 2rpa h TRP 52 N -0.29 0.48 -0.84 1.91 -0.00 -1.43 -1.54 115.95 114.25 2rpa h TRP 52 Ca 0.01 0.01 0.03 0.00 -0.00 0.00 0.00 58.89 58.94 2rpa h TRP 52 Cb 0.46 -0.16 -0.05 0.00 -0.00 0.00 0.00 29.16 29.41 2rpa h TRP 52 CO 0.07 0.28 0.55 0.37 -0.00 0.00 0.00 178.44 179.71 2rpa h GLN 53 N 0.50 1.02 0.35 0.49 -0.00 -0.91 0.44 115.11 116.99 2rpa h GLN 53 Ca 0.18 -0.06 -0.02 0.00 -0.00 0.00 0.00 58.65 58.75 2rpa h GLN 53 Cb 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 27.48 27.35 2rpa h GLN 53 CO -0.04 0.67 -0.17 1.96 0.00 0.00 0.00 178.83 181.25 2rpa h GLN 54 N 1.05 -0.45 -0.98 1.69 4.20 -1.26 -3.19 115.11 116.17 2rpa h GLN 54 Ca 0.33 0.03 0.08 0.00 0.06 0.00 0.00 58.65 59.15 2rpa h GLN 54 Cb 0.01 0.10 -0.07 0.00 0.30 0.00 0.00 27.48 27.83 2rpa h GLN 54 CO -0.09 -0.24 0.63 -0.39 -0.67 0.00 0.00 178.83 178.06 2rpa h VAL 55 N -1.09 1.04 -0.95 -0.54 -1.51 -1.39 -1.30 116.25 110.50 2rpa h VAL 55 Ca -0.05 -0.38 0.18 0.00 -1.23 0.00 0.00 66.70 65.22 2rpa h VAL 55 Cb 0.42 -0.15 -0.08 0.00 -2.13 0.00 0.00 31.29 29.34 2rpa h VAL 55 CO 0.08 0.20 0.60 -0.25 -1.23 0.00 0.00 177.57 176.97 2rpa h TRP 56 N 1.09 0.85 -0.56 5.19 7.01 -0.21 -0.30 115.95 129.03 2rpa h TRP 56 Ca 0.44 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.45 2rpa h TRP 56 Cb 0.27 -0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 27.04 2rpa h TRP 56 CO -0.00 0.25 0.27 1.96 -2.79 0.00 0.00 178.44 178.13 2rpa h GLN 57 N 0.66 0.80 -0.54 2.65 4.20 -1.22 -2.32 115.11 119.35 2rpa h GLN 57 Ca 0.51 -0.12 0.05 0.00 0.06 0.00 0.00 58.65 59.15 2rpa h GLN 57 Cb 0.91 -0.15 -0.05 0.00 0.30 0.00 0.00 27.48 28.49 2rpa h GLN 57 CO -0.26 0.65 0.28 0.93 -0.67 0.00 0.00 178.83 179.76 2rpa h GLU 58 N 0.76 0.52 -0.80 1.46 5.08 -1.05 -1.21 114.58 119.34 2rpa h GLU 58 Ca 0.19 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 2rpa h GLU 58 Cb 0.11 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2rpa h GLU 58 CO -0.02 0.34 0.44 0.82 -1.00 0.00 0.00 179.01 179.59 2rpa h ILE 59 N 0.54 1.24 -0.12 3.13 2.04 -1.23 -1.14 117.51 121.96 2rpa h ILE 59 Ca 0.24 -0.58 -0.08 0.00 1.00 0.00 0.00 64.86 65.43 2rpa h ILE 59 Cb 0.14 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 2rpa h ILE 59 CO -0.16 0.26 -0.28 -1.13 0.00 0.00 0.00 178.15 176.84 2rpa h ASN 60 N 1.12 0.22 0.19 1.72 -1.24 -0.80 -2.10 115.58 114.69 2rpa h ASN 60 Ca 0.28 -0.07 -0.01 0.00 0.71 0.00 0.00 56.30 57.21 2rpa h ASN 60 Cb 0.02 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.02 2rpa h ASN 60 CO -0.05 0.51 -0.09 0.58 -1.29 0.00 0.00 177.43 177.09 2rpa h VAL 61 N 0.20 0.72 -0.98 2.57 2.07 -0.52 -3.12 116.25 117.20 2rpa h VAL 61 Ca 0.03 -1.07 0.13 0.00 0.82 0.00 0.00 66.70 66.61 2rpa h VAL 61 Cb 0.61 1.22 -0.09 0.00 -1.52 0.00 0.00 31.29 31.51 2rpa h VAL 61 CO 0.04 0.19 0.60 1.05 0.02 0.00 0.00 177.57 179.47 2rpa h GLU 62 N -0.90 0.88 -0.17 1.57 4.11 -1.24 0.11 114.58 118.94 2rpa h GLU 62 Ca -0.03 -0.05 0.02 0.00 0.07 0.00 0.00 59.36 59.37 2rpa h GLU 62 Cb 0.50 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2rpa h GLU 62 CO 0.04 0.58 0.11 0.00 0.07 0.00 0.00 179.01 179.82 2rpa h ALA 63 N 1.55 1.96 0.00 1.06 0.00 -1.44 -2.30 119.26 120.09 2rpa h ALA 63 Ca 0.50 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.23 2rpa h ALA 63 Cb 0.56 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.32 2rpa h ALA 63 CO -0.29 0.02 -0.66 -0.22 0.00 0.00 0.00 179.25 178.09 2rpa h LYS 64 N 0.16 0.44 -0.79 0.00 3.11 -0.73 -3.29 116.57 115.48 2rpa h LYS 64 Ca 0.07 -0.48 0.10 0.00 -2.81 0.00 0.00 60.65 57.53 2rpa h LYS 64 Cb 0.08 0.14 -0.08 0.00 -1.00 0.00 0.00 32.23 31.37 2rpa h LYS 64 CO -0.01 1.13 0.42 1.96 -2.81 0.00 0.00 179.45 180.14 2rpa h GLN 65 N -0.05 0.67 -0.88 1.90 1.08 -0.84 -0.41 115.11 116.58 2rpa h GLN 65 Ca -0.08 -0.04 0.19 0.00 -1.45 0.00 0.00 58.65 57.26 2rpa h GLN 65 Cb 1.37 -0.15 -0.06 0.00 -0.05 0.00 0.00 27.48 28.58 2rpa h GLN 65 CO 0.13 0.44 0.58 0.28 -0.95 0.00 0.00 178.83 179.31 2rpa h VAL 66 N 0.69 0.71 -0.23 -0.54 2.07 -1.52 0.23 116.25 117.66 2rpa h VAL 66 Ca 0.39 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.72 2rpa h VAL 66 Cb 0.42 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2rpa h VAL 66 CO -0.28 0.08 -0.04 0.50 0.02 0.00 0.00 177.57 177.85 2rpa h LYS 67 N 0.44 0.36 0.23 1.57 3.64 -1.17 -1.17 116.57 120.47 2rpa h LYS 67 Ca 0.45 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.75 2rpa h LYS 67 Cb 1.07 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 2rpa h LYS 67 CO -0.17 0.42 -0.11 0.22 -2.27 0.00 0.00 179.45 177.54 2rpa h ASP 68 N 0.34 -0.27 -0.93 4.20 3.58 -0.55 -2.93 116.42 119.86 2rpa h ASP 68 Ca 0.08 -0.11 0.17 0.00 0.42 0.00 0.00 57.03 57.58 2rpa h ASP 68 Cb 0.31 0.07 -0.10 0.00 1.72 0.00 0.00 39.33 41.32 2rpa h ASP 68 CO 0.01 0.23 0.53 0.16 -2.88 0.00 0.00 179.24 177.29 2rpa h ILE 69 N -1.04 0.73 0.00 2.25 3.07 -1.38 0.59 117.51 121.73 2rpa h ILE 69 Ca -0.03 -0.24 0.00 0.00 1.55 0.00 0.00 64.86 66.13 2rpa h ILE 69 Cb 0.36 -0.05 0.00 0.00 -0.27 0.00 0.00 36.82 36.86 2rpa h ILE 69 CO 0.05 0.13 0.00 0.00 -1.05 0.00 0.00 178.15 177.28 2rpa h MET 70 N 0.71 0.00 -5.48 0.16 -0.00 -1.30 -3.41 114.93 105.61 2rpa h MET 70 Ca 0.52 0.00 -0.61 0.00 -0.00 0.00 0.00 59.70 59.61 2rpa h MET 70 Cb 0.76 0.00 -0.11 0.00 -0.00 0.00 0.00 31.60 32.24 2rpa h MET 70 CO -0.37 0.00 -0.01 0.21 -0.00 0.00 0.00 176.91 176.75 2rpa s LYS 71 N -3.50 4.14 0.00 -0.10 2.36 0.21 -5.07 119.74 117.79 2rpa s LYS 71 Ca 0.02 0.41 0.01 0.00 -2.55 0.00 0.00 55.97 53.86 2rpa s LYS 71 Cb 0.09 -3.60 0.01 0.00 -1.05 0.00 0.00 37.83 33.28 2rpa s LYS 71 CO 0.42 -0.24 0.53 -2.37 1.55 0.00 0.00 175.35 175.24