#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 -0.34 -0.20 6.43 1.01 -1.26 -5.14 116.67 117.17 2rpa s ASP -4 Ca 0.00 -0.19 -0.26 0.00 0.71 0.00 0.00 52.55 52.81 2rpa s ASP -4 Cb 0.00 0.50 -0.00 0.00 1.01 0.00 0.00 42.92 44.43 2rpa s ASP -4 CO 0.00 -0.86 0.90 -1.38 0.21 0.00 0.00 175.17 174.04 2rpa s HIS -3 N -3.39 3.38 -1.04 4.23 -3.43 -1.26 -4.98 115.29 108.79 2rpa s HIS -3 Ca 0.07 1.31 -0.19 0.00 -0.80 0.00 0.00 55.06 55.44 2rpa s HIS -3 Cb -0.02 -3.11 0.10 0.00 -1.43 0.00 0.00 32.58 28.12 2rpa s HIS -3 CO -0.05 -0.35 1.36 1.41 -2.00 0.00 0.00 174.74 175.11 2rpa s MET -2 N 2.62 3.71 -0.00 -0.38 1.75 -1.26 -4.98 119.30 120.76 2rpa s MET -2 Ca 0.40 -1.67 -0.30 0.00 -1.25 0.00 0.00 55.69 52.87 2rpa s MET -2 Cb -0.16 -5.17 -0.07 0.00 2.84 0.00 0.00 34.83 32.27 2rpa s MET -2 CO 0.10 -1.99 1.84 -0.08 -0.65 0.00 0.00 175.02 174.24 2rpa s THR -1 N 3.54 3.25 0.72 10.11 -1.32 -1.26 -4.99 115.64 125.68 2rpa s THR -1 Ca 0.41 0.30 -0.01 0.00 -1.21 0.00 0.00 61.69 61.18 2rpa s THR -1 Cb -0.02 -3.19 0.12 0.00 -1.51 0.00 0.00 72.50 67.90 2rpa s THR -1 CO -0.06 -0.03 0.99 -0.04 -2.21 0.00 0.00 174.62 173.27 2rpa s MET 1 N 4.30 1.72 -0.10 7.08 -1.94 -1.26 -5.00 119.30 124.10 2rpa s MET 1 Ca 0.82 -1.06 -0.29 0.00 -1.71 0.00 0.00 55.69 53.46 2rpa s MET 1 Cb -0.39 -2.33 -0.06 0.00 2.01 0.00 0.00 34.83 34.07 2rpa s MET 1 CO 0.37 -1.42 1.85 -1.12 -0.01 0.00 0.00 175.02 174.68 2rpa s SER 2 N -4.72 6.30 -0.12 3.03 0.01 -1.26 -2.76 113.70 114.19 2rpa s SER 2 Ca 0.66 2.15 0.00 0.00 1.31 0.00 0.00 55.95 60.07 2rpa s SER 2 Cb -0.06 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.65 2rpa s SER 2 CO 0.44 -1.25 0.00 -0.11 0.41 0.00 0.00 173.24 172.74 2rpa n LEU 3 N 8.45 -0.10 -0.08 2.44 7.94 -1.26 -4.73 117.00 129.65 2rpa n LEU 3 Ca 0.21 0.29 -0.11 0.00 -1.11 0.00 0.00 56.01 55.29 2rpa n LEU 3 Cb 0.43 -0.93 -0.07 0.00 0.53 0.00 0.00 43.42 43.39 2rpa n LEU 3 CO 0.65 -0.03 -0.18 -0.61 -1.11 0.00 0.00 177.39 176.11 2rpa h GLN 4 N 0.00 0.00 0.00 1.96 5.75 -1.91 -2.90 115.11 118.01 2rpa h GLN 4 Ca -0.03 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 2rpa h GLN 4 Cb 0.65 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.20 2rpa h GLN 4 CO 0.04 0.52 0.26 0.52 -2.65 0.00 0.00 178.83 177.51 2rpa h MET 5 N -1.00 0.00 0.00 1.69 2.86 -1.85 0.40 114.93 117.03 2rpa h MET 5 Ca -0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 2rpa h MET 5 Cb 0.75 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.41 2rpa h MET 5 CO -0.07 0.00 -0.30 -0.89 1.06 0.00 0.00 176.91 176.72 2rpa n ILE 6 N -2.19 0.65 0.05 -1.22 2.08 -1.25 -4.11 119.36 113.36 2rpa n ILE 6 Ca -0.01 0.36 0.12 0.00 0.56 0.00 0.00 62.75 63.78 2rpa n ILE 6 Cb 0.28 -1.90 0.57 0.00 -0.75 0.00 0.00 39.64 37.85 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 -0.45 0.92 -0.91 1.39 -1.51 -1.27 -1.52 116.25 112.90 2rpa h VAL 7 Ca 0.00 -0.07 0.05 0.00 -1.23 0.00 0.00 66.70 65.45 2rpa h VAL 7 Cb 0.30 0.68 -0.06 0.00 -2.13 0.00 0.00 31.29 30.08 2rpa h VAL 7 CO 0.00 0.04 0.58 -0.33 -1.23 0.00 0.00 177.57 176.63 2rpa h GLU 8 N 0.22 1.05 -0.84 5.19 4.39 -0.41 -1.49 114.58 122.68 2rpa h GLU 8 Ca 0.18 -0.06 0.14 0.00 0.34 0.00 0.00 59.36 59.95 2rpa h GLU 8 Cb 0.42 -0.24 -0.06 0.00 -0.10 0.00 0.00 28.75 28.77 2rpa h GLU 8 CO -0.03 0.70 0.55 -0.91 -1.16 0.00 0.00 179.01 178.15 2rpa h ASN 9 N 1.08 0.58 -0.27 1.42 -0.26 -1.42 -1.78 115.58 114.92 2rpa h ASN 9 Ca 0.38 0.03 0.06 0.00 -0.56 0.00 0.00 56.30 56.21 2rpa h ASN 9 Cb 0.10 -0.08 -0.05 0.00 -1.06 0.00 0.00 38.32 37.22 2rpa h ASN 9 CO -0.15 0.30 -0.08 0.58 -1.06 0.00 0.00 177.43 177.02 2rpa h VAL 10 N 0.61 0.70 -0.78 2.81 2.07 -1.35 -0.60 116.25 119.72 2rpa h VAL 10 Ca 0.41 0.00 0.13 0.00 0.82 0.00 0.00 66.70 68.07 2rpa h VAL 10 Cb 0.72 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 2rpa h VAL 10 CO -0.17 0.00 0.51 0.11 0.02 0.00 0.00 177.57 178.04 2rpa h LYS 11 N -0.02 0.51 -0.19 1.57 1.79 -1.38 0.20 116.57 119.05 2rpa h LYS 11 Ca 0.13 -0.03 -0.11 0.00 -2.18 0.00 0.00 60.65 58.47 2rpa h LYS 11 Cb 0.22 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 30.76 2rpa h LYS 11 CO -0.29 0.34 -0.30 1.25 -1.08 0.00 0.00 179.45 179.36 2rpa h LEU 12 N 0.53 0.59 0.15 2.94 7.12 -1.11 -2.74 115.31 122.79 2rpa h LEU 12 Ca 0.38 -0.53 -0.01 0.00 0.13 0.00 0.00 57.88 57.85 2rpa h LEU 12 Cb 0.72 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.69 2rpa h LEU 12 CO -0.14 1.00 -0.07 0.00 -0.13 0.00 0.00 178.44 179.11 2rpa h ALA 13 N 0.60 -0.19 -0.80 1.25 0.00 -0.05 -2.79 119.26 117.27 2rpa h ALA 13 Ca 0.02 -0.17 0.20 0.00 0.00 0.00 0.00 54.91 54.95 2rpa h ALA 13 Cb 0.88 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 2rpa h ALA 13 CO 0.07 -0.45 0.55 -0.09 0.00 0.00 0.00 179.25 179.33 2rpa h ARG 14 N -0.51 0.24 -0.26 0.00 1.12 -0.74 0.18 114.38 114.41 2rpa h ARG 14 Ca -0.02 -0.01 -0.13 0.00 -1.11 0.00 0.00 59.98 58.70 2rpa h ARG 14 Cb 0.40 -0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.30 2rpa h ARG 14 CO 0.03 0.16 -0.39 1.49 -3.11 0.00 0.00 179.97 178.16 2rpa h GLU 15 N 0.25 0.59 -0.22 0.20 4.81 -1.31 -3.05 114.58 115.85 2rpa h GLU 15 Ca 0.40 -0.30 -0.16 0.00 -0.13 0.00 0.00 59.36 59.18 2rpa h GLU 15 Cb 1.19 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 2rpa h GLU 15 CO -0.10 0.88 -0.51 1.88 -0.73 0.00 0.00 179.01 180.43 2rpa h TYR 16 N 0.49 0.76 -0.87 0.92 -1.99 -0.43 -2.41 116.97 113.45 2rpa h TYR 16 Ca 0.05 -0.26 0.07 0.00 2.00 0.00 0.00 58.73 60.58 2rpa h TYR 16 Cb 0.89 -0.15 -0.06 0.00 2.00 0.00 0.00 36.73 39.41 2rpa h TYR 16 CO 0.04 1.00 0.54 0.00 -0.00 0.00 0.00 178.16 179.74 2rpa h ALA 17 N 0.95 1.21 0.11 3.88 0.00 -0.78 0.51 119.26 125.15 2rpa h ALA 17 Ca 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2rpa h ALA 17 Cb 1.06 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2rpa h ALA 17 CO 0.10 0.27 -0.05 -0.07 0.00 0.00 0.00 179.25 179.50 2rpa h LEU 18 N 0.97 -0.13 -1.76 0.00 3.38 -1.48 -3.17 115.31 113.12 2rpa h LEU 18 Ca 0.38 -0.44 0.30 0.00 0.09 0.00 0.00 57.88 58.22 2rpa h LEU 18 Cb 0.20 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 2rpa h LEU 18 CO -0.18 0.46 0.91 -0.07 0.09 0.00 0.00 178.44 179.64 2rpa h LEU 19 N -0.80 0.00 0.00 1.67 4.07 -1.26 -3.43 115.31 115.55 2rpa h LEU 19 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 2rpa h LEU 19 Cb 0.56 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.30 2rpa h LEU 19 CO 0.03 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.00 2rpa n GLY 20 N -1.70 0.86 3.26 0.83 0.00 -0.84 -5.08 105.19 102.51 2rpa n GLY 20 Ca 0.22 0.00 -0.43 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 -0.88 6.08 -0.12 1.61 3.04 0.17 -4.88 114.94 119.97 2rpa s ASN 21 Ca 0.00 -2.20 -0.07 0.00 0.04 0.00 0.00 52.86 50.63 2rpa s ASN 21 Cb 0.00 -2.10 -0.26 0.00 -1.54 0.00 0.00 41.25 37.34 2rpa s ASN 21 CO 0.00 -0.67 0.38 -1.22 -3.04 0.00 0.00 177.10 172.55 2rpa n TYR 22 N 4.58 1.28 -0.33 0.43 4.02 -1.26 -2.14 117.16 123.75 2rpa n TYR 22 Ca -0.02 0.27 0.14 0.00 -0.01 0.00 0.00 57.90 58.29 2rpa n TYR 22 Cb 0.42 -1.17 0.36 0.00 -0.02 0.00 0.00 39.34 38.93 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 0.07 0.71 0.65 7.72 3.58 -1.94 0.36 116.42 127.58 2rpa h ASP 23 Ca -0.42 0.09 -0.10 0.00 0.42 0.00 0.00 57.03 57.02 2rpa h ASP 23 Cb 2.04 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 43.03 2rpa h ASP 23 CO 0.09 0.25 -0.47 -1.28 -2.88 0.00 0.00 179.24 174.95 2rpa h SER 24 N 0.69 0.00 0.31 2.28 0.87 -1.96 -3.00 113.55 112.75 2rpa h SER 24 Ca 0.56 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.94 2rpa h SER 24 Cb 0.97 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.93 2rpa h SER 24 CO -0.34 0.47 -0.75 0.00 -0.53 0.00 0.00 176.83 175.68 2rpa h ALA 25 N 1.53 0.60 0.65 6.23 0.00 -0.45 -3.03 119.26 124.79 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 0.92 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.66 2rpa h ALA 25 CO 0.06 0.78 -0.31 0.52 0.00 0.00 0.00 179.25 180.30 2rpa h MET 26 N 0.24 -0.84 -1.00 0.00 2.07 -1.08 0.24 114.93 114.56 2rpa h MET 26 Ca -0.03 0.06 0.15 0.00 -2.07 0.00 0.00 59.70 57.81 2rpa h MET 26 Cb 1.33 0.19 -0.09 0.00 -1.87 0.00 0.00 31.60 31.15 2rpa h MET 26 CO 0.13 -0.53 0.62 -0.39 1.07 0.00 0.00 176.91 177.80 2rpa h VAL 27 N -0.97 0.82 -0.03 -2.22 -1.51 -1.63 -0.06 116.25 110.64 2rpa h VAL 27 Ca -0.09 -0.30 -0.02 0.00 -1.23 0.00 0.00 66.70 65.07 2rpa h VAL 27 Cb 0.70 -0.13 -0.00 0.00 -2.13 0.00 0.00 31.29 29.73 2rpa h VAL 27 CO 0.15 0.16 -0.04 1.88 -1.23 0.00 0.00 177.57 178.49 2rpa h TYR 28 N 0.87 0.10 0.02 5.19 -1.99 -1.39 -2.96 116.97 116.82 2rpa h TYR 28 Ca 0.53 -0.03 0.03 0.00 2.00 0.00 0.00 58.73 61.26 2rpa h TYR 28 Cb 0.69 -0.02 -0.04 0.00 2.00 0.00 0.00 36.73 39.36 2rpa h TYR 28 CO -0.00 0.57 -0.23 1.88 -0.00 0.00 0.00 178.16 180.37 2rpa h TYR 29 N -0.39 -0.61 -0.88 4.88 0.05 0.20 -0.88 116.97 119.35 2rpa h TYR 29 Ca 0.00 0.02 0.21 0.00 0.05 0.00 0.00 58.73 59.02 2rpa h TYR 29 Cb 0.55 0.27 -0.06 0.00 1.01 0.00 0.00 36.73 38.50 2rpa h TYR 29 CO 0.10 -0.32 0.60 0.37 -1.05 0.00 0.00 178.16 177.86 2rpa h GLN 30 N -0.37 0.29 -0.12 4.88 5.75 -1.11 -0.71 115.11 123.72 2rpa h GLN 30 Ca 0.05 -0.02 -0.13 0.00 -0.15 0.00 0.00 58.65 58.41 2rpa h GLN 30 Cb 0.44 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.93 2rpa h GLN 30 CO -0.19 0.19 -0.43 0.78 -2.65 0.00 0.00 178.83 176.53 2rpa h GLY 31 N 0.30 0.55 0.99 2.39 0.00 -1.03 -2.17 103.07 104.10 2rpa h GLY 31 Ca 0.45 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2rpa h GLY 31 CO -0.13 0.66 0.07 -2.08 0.00 0.00 0.00 176.54 175.05 2rpa h VAL 32 N 0.10 1.02 -0.23 4.60 2.07 0.02 -0.46 116.25 123.37 2rpa h VAL 32 Ca -0.02 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 2rpa h VAL 32 Cb 1.06 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 2rpa h VAL 32 CO 0.09 0.03 0.11 -0.07 0.02 0.00 0.00 177.57 177.75 2rpa h LEU 33 N 0.14 0.31 -0.70 2.57 3.38 -1.39 0.39 115.31 120.01 2rpa h LEU 33 Ca 0.04 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 57.94 2rpa h LEU 33 Cb -0.01 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 2rpa h LEU 33 CO -0.01 0.34 0.41 0.44 0.09 0.00 0.00 178.44 179.71 2rpa h ASP 34 N 0.25 0.62 0.34 -0.43 5.19 -1.22 -1.97 116.42 119.20 2rpa h ASP 34 Ca 0.08 0.02 -0.19 0.00 -0.62 0.00 0.00 57.03 56.33 2rpa h ASP 34 Cb 0.12 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 2rpa h ASP 34 CO -0.01 0.40 -0.78 1.56 -3.12 0.00 0.00 179.24 177.29 2rpa h GLN 35 N 0.75 0.35 -0.09 3.56 1.08 -0.85 -3.22 115.11 116.68 2rpa h GLN 35 Ca 0.31 -0.31 0.03 0.00 -1.45 0.00 0.00 58.65 57.23 2rpa h GLN 35 Cb 0.16 0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.63 2rpa h GLN 35 CO -0.17 0.97 -0.11 0.52 -0.95 0.00 0.00 178.83 179.09 2rpa h MET 36 N 0.23 -0.13 -0.26 1.46 2.86 0.49 -2.42 114.93 117.15 2rpa h MET 36 Ca -0.04 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.66 2rpa h MET 36 Cb 1.37 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 33.01 2rpa h MET 36 CO 0.13 -0.09 -0.08 -0.91 1.06 0.00 0.00 176.91 177.02 2rpa h ASN 37 N -0.14 -0.29 -0.83 1.22 2.35 -1.44 -0.16 115.58 116.29 2rpa h ASN 37 Ca 0.07 0.08 0.22 0.00 -0.55 0.00 0.00 56.30 56.13 2rpa h ASN 37 Cb 0.24 0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.75 2rpa h ASN 37 CO -0.18 -0.10 0.58 0.11 -1.65 0.00 0.00 177.43 176.19 2rpa h LYS 38 N -0.02 0.11 0.10 0.81 1.57 -1.49 0.07 116.57 117.72 2rpa h LYS 38 Ca 0.13 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2rpa h LYS 38 Cb 0.22 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2rpa h LYS 38 CO -0.28 0.07 -0.05 -0.92 -0.57 0.00 0.00 179.45 177.70 2rpa h TYR 39 N 0.12 -0.12 -0.39 -1.35 5.03 -0.58 -3.08 116.97 116.58 2rpa h TYR 39 Ca 0.41 -0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.77 2rpa h TYR 39 Cb 1.43 0.04 -0.02 0.00 1.55 0.00 0.00 36.73 39.73 2rpa h TYR 39 CO -0.00 0.39 0.27 -0.07 -1.32 0.00 0.00 178.16 177.43 2rpa h LEU 40 N -0.80 0.25 -1.47 2.82 3.38 -0.52 0.42 115.31 119.40 2rpa h LEU 40 Ca -0.01 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2rpa h LEU 40 Cb 0.57 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2rpa h LEU 40 CO 0.02 0.17 -0.22 0.22 0.09 0.00 0.00 178.44 178.72 2rpa h TYR 41 N 0.29 0.00 -0.01 1.13 5.03 -1.05 -1.88 116.97 120.49 2rpa h TYR 41 Ca 0.17 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.48 2rpa h TYR 41 Cb 0.32 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.60 2rpa h TYR 41 CO -0.00 0.22 -0.13 0.43 -1.32 0.00 0.00 178.16 177.36 2rpa n SER 42 N -3.63 0.67 -4.82 -2.11 7.64 0.12 -4.89 113.62 106.61 2rpa n SER 42 Ca -0.01 -0.76 -0.33 0.00 1.01 0.00 0.00 58.87 58.78 2rpa n SER 42 Cb 0.35 -0.02 -0.02 0.00 -1.01 0.00 0.00 64.21 63.51 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 -2.41 4.16 -0.09 0.44 1.01 -0.71 -4.98 120.40 117.83 2rpa s VAL 43 Ca 0.30 1.12 0.07 0.00 0.00 0.00 0.00 61.98 63.47 2rpa s VAL 43 Cb 0.20 -3.55 -0.10 0.00 0.00 0.00 0.00 36.38 32.92 2rpa s VAL 43 CO 0.47 -0.51 0.19 0.29 0.00 0.00 0.00 175.10 175.54 2rpa n LYS 44 N -1.51 1.29 -3.53 2.72 5.02 -1.26 -4.90 118.16 115.99 2rpa n LYS 44 Ca 0.08 -0.05 -0.42 0.00 -2.02 0.00 0.00 58.31 55.90 2rpa n LYS 44 Cb 0.53 -1.09 -0.09 0.00 -0.02 0.00 0.00 35.03 34.37 2rpa n LYS 44 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2rpa s ASP 45 N -2.55 5.78 0.43 4.39 1.01 -1.26 -4.94 116.67 119.53 2rpa s ASP 45 Ca -0.01 -1.65 0.25 0.00 0.71 0.00 0.00 52.55 51.85 2rpa s ASP 45 Cb 0.05 -2.04 1.26 0.00 1.01 0.00 0.00 42.92 43.20 2rpa s ASP 45 CO 0.30 -0.63 1.74 0.71 0.21 0.00 0.00 175.17 177.49 2rpa h THR 46 N 6.04 0.41 -0.56 -1.27 1.35 -1.98 0.65 112.91 117.55 2rpa h THR 46 Ca -0.24 -0.09 -0.02 0.00 -0.55 0.00 0.00 66.41 65.52 2rpa h THR 46 Cb 1.08 0.14 -0.03 0.00 -1.73 0.00 0.00 68.15 67.61 2rpa h THR 46 CO 0.83 0.05 0.27 0.45 -0.25 0.00 0.00 175.52 176.87 2rpa h HIS 47 N 0.25 0.77 0.11 4.73 3.86 -1.98 0.66 115.15 123.55 2rpa h HIS 47 Ca 0.64 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.83 2rpa h HIS 47 Cb 1.90 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 30.13 2rpa h HIS 47 CO -0.00 0.56 -0.05 1.25 0.86 0.00 0.00 177.93 180.55 2rpa h LEU 48 N 0.79 -0.12 -1.30 2.43 6.46 -0.12 -3.12 115.31 120.33 2rpa h LEU 48 Ca 0.20 -0.45 -0.07 0.00 -0.12 0.00 0.00 57.88 57.44 2rpa h LEU 48 Cb 0.07 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 2rpa h LEU 48 CO -0.03 0.45 -0.34 0.08 -0.62 0.00 0.00 178.44 177.98 2rpa h ARG 49 N -0.76 0.01 -0.63 1.25 0.11 -1.32 -2.72 114.38 110.33 2rpa h ARG 49 Ca -0.01 -0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.07 2rpa h ARG 49 Cb 0.56 -0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.61 2rpa h ARG 49 CO 0.02 0.35 0.41 1.96 0.10 0.00 0.00 179.97 182.82 2rpa h GLN 50 N 0.01 0.83 -0.33 0.08 4.20 0.30 0.23 115.11 120.42 2rpa h GLN 50 Ca -0.00 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 2rpa h GLN 50 Cb 0.61 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 2rpa h GLN 50 CO 0.05 0.55 -0.06 -0.22 -0.67 0.00 0.00 178.83 178.48 2rpa h LYS 51 N 0.86 0.62 -0.11 1.46 1.63 -1.42 -2.91 116.57 116.70 2rpa h LYS 51 Ca 0.23 -0.23 -0.16 0.00 -0.85 0.00 0.00 60.65 59.64 2rpa h LYS 51 Cb -0.09 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.49 2rpa h LYS 51 CO -0.05 0.79 -0.60 -1.49 -3.45 0.00 0.00 179.45 174.65 2rpa h TRP 52 N 0.41 0.47 -0.26 1.91 4.06 -1.44 -3.12 115.95 117.98 2rpa h TRP 52 Ca 0.09 -0.18 0.05 0.00 2.06 0.00 0.00 58.89 60.90 2rpa h TRP 52 Cb 0.55 -0.08 -0.04 0.00 -1.00 0.00 0.00 29.16 28.58 2rpa h TRP 52 CO 0.05 0.88 -0.02 0.37 -3.56 0.00 0.00 178.44 176.16 2rpa h GLN 53 N 0.28 0.06 -0.43 0.49 4.15 -0.47 0.31 115.11 119.49 2rpa h GLN 53 Ca -0.00 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 2rpa h GLN 53 Cb 1.13 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.78 2rpa h GLN 53 CO 0.10 0.04 0.18 -0.56 -1.93 0.00 0.00 178.83 176.66 2rpa h GLN 54 N 0.06 0.61 -0.07 1.69 3.07 -1.52 -2.33 115.11 116.61 2rpa h GLN 54 Ca 0.13 -0.08 -0.19 0.00 0.09 0.00 0.00 58.65 58.60 2rpa h GLN 54 Cb 0.17 -0.12 -0.00 0.00 0.08 0.00 0.00 27.48 27.61 2rpa h GLN 54 CO -0.22 0.49 -0.75 0.28 0.09 0.00 0.00 178.83 178.72 2rpa h VAL 55 N 0.61 1.39 -0.78 1.86 2.07 -1.23 -3.13 116.25 117.03 2rpa h VAL 55 Ca 0.15 -2.19 0.20 0.00 0.82 0.00 0.00 66.70 65.69 2rpa h VAL 55 Cb 0.11 2.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 2rpa h VAL 55 CO -0.02 0.66 0.54 -0.25 0.02 0.00 0.00 177.57 178.52 2rpa h TRP 56 N 0.26 0.19 -0.52 1.57 7.01 0.15 0.12 115.95 124.73 2rpa h TRP 56 Ca -0.04 0.01 -0.11 0.00 2.11 0.00 0.00 58.89 60.86 2rpa h TRP 56 Cb 1.33 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 28.32 2rpa h TRP 56 CO 0.04 0.06 -0.10 1.96 -2.79 0.00 0.00 178.44 177.62 2rpa h GLN 57 N 0.15 0.96 0.05 2.65 1.08 -1.54 -2.78 115.11 115.68 2rpa h GLN 57 Ca 0.38 -0.34 -0.00 0.00 -1.45 0.00 0.00 58.65 57.24 2rpa h GLN 57 Cb 1.28 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.64 2rpa h GLN 57 CO -0.06 1.01 -0.02 0.93 -0.95 0.00 0.00 178.83 179.73 2rpa h GLU 58 N 0.86 -0.06 -0.90 1.46 5.08 -0.90 -2.14 114.58 117.98 2rpa h GLU 58 Ca 0.14 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.62 2rpa h GLU 58 Cb 0.64 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.83 2rpa h GLU 58 CO 0.04 0.05 0.58 0.82 -1.00 0.00 0.00 179.01 179.50 2rpa h ILE 59 N -0.16 0.90 -0.55 3.13 2.04 -1.46 -0.49 117.51 120.93 2rpa h ILE 59 Ca -0.01 -0.28 -0.09 0.00 1.00 0.00 0.00 64.86 65.48 2rpa h ILE 59 Cb 0.14 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 2rpa h ILE 59 CO 0.01 0.15 -0.01 -1.13 0.00 0.00 0.00 178.15 177.16 2rpa h ASN 60 N 0.81 0.93 0.02 1.72 -1.24 -1.20 -1.61 115.58 115.03 2rpa h ASN 60 Ca 0.44 -0.26 -0.00 0.00 0.71 0.00 0.00 56.30 57.19 2rpa h ASN 60 Cb 0.55 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.35 2rpa h ASN 60 CO -0.20 1.00 -0.01 0.58 -1.29 0.00 0.00 177.43 177.51 2rpa h VAL 61 N 0.88 1.24 -0.27 2.57 2.07 -0.49 -0.08 116.25 122.17 2rpa h VAL 61 Ca 0.16 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2rpa h VAL 61 Cb 0.54 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 2rpa h VAL 61 CO 0.03 0.21 0.17 1.05 0.02 0.00 0.00 177.57 179.05 2rpa h GLU 62 N -0.39 0.36 0.03 1.57 4.11 -1.18 0.16 114.58 119.24 2rpa h GLU 62 Ca -0.00 -0.02 -0.22 0.00 0.07 0.00 0.00 59.36 59.18 2rpa h GLU 62 Cb 0.37 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2rpa h GLU 62 CO 0.01 0.25 -0.98 0.00 0.07 0.00 0.00 179.01 178.36 2rpa h ALA 63 N 1.82 0.39 -0.02 1.06 0.00 -1.17 -3.05 119.26 118.29 2rpa h ALA 63 Ca 0.10 -0.78 -0.09 0.00 0.00 0.00 0.00 54.91 54.14 2rpa h ALA 63 Cb -0.02 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.71 2rpa h ALA 63 CO -0.02 0.95 -0.33 -0.22 0.00 0.00 0.00 179.25 179.63 2rpa h LYS 64 N 0.10 0.26 -0.59 0.00 3.11 -0.14 -3.24 116.57 116.07 2rpa h LYS 64 Ca -0.06 -0.25 0.08 0.00 -2.81 0.00 0.00 60.65 57.60 2rpa h LYS 64 Cb 1.64 0.07 -0.04 0.00 -1.00 0.00 0.00 32.23 32.90 2rpa h LYS 64 CO 0.15 0.94 0.39 -0.56 -2.81 0.00 0.00 179.45 177.57 2rpa h GLN 65 N -0.32 0.49 -0.66 1.90 3.07 -0.82 -0.92 115.11 117.84 2rpa h GLN 65 Ca -0.04 -0.03 0.08 0.00 0.09 0.00 0.00 58.65 58.76 2rpa h GLN 65 Cb 1.04 -0.11 -0.04 0.00 0.08 0.00 0.00 27.48 28.45 2rpa h GLN 65 CO 0.07 0.32 0.44 0.28 0.09 0.00 0.00 178.83 180.03 2rpa h VAL 66 N 0.50 0.96 -0.42 1.86 2.07 -1.56 -0.36 116.25 119.31 2rpa h VAL 66 Ca 0.26 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.63 2rpa h VAL 66 Cb 0.38 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2rpa h VAL 66 CO -0.08 0.11 0.28 0.50 0.02 0.00 0.00 177.57 178.40 2rpa h LYS 67 N 0.60 0.35 0.00 1.57 3.64 -1.25 -1.33 116.57 120.14 2rpa h LYS 67 Ca 0.30 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.63 2rpa h LYS 67 Cb 0.39 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2rpa h LYS 67 CO -0.10 0.23 -0.14 0.22 -2.27 0.00 0.00 179.45 177.40 2rpa h ASP 68 N 0.37 0.00 0.00 4.20 3.58 -1.18 -3.29 116.42 120.09 2rpa h ASP 68 Ca 0.18 -0.65 0.00 0.00 0.42 0.00 0.00 57.03 56.97 2rpa h ASP 68 Cb 0.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.30 2rpa h ASP 68 CO -0.04 0.91 0.13 2.30 -2.88 0.00 0.00 179.24 179.65 2rpa n ILE 69 N -4.64 1.03 -0.93 2.25 -5.35 -0.78 0.35 119.36 111.29 2rpa n ILE 69 Ca -0.09 0.68 0.07 0.00 -0.27 0.00 0.00 62.75 63.14 2rpa n ILE 69 Cb 0.36 -1.68 0.37 0.00 -1.74 0.00 0.00 39.64 36.95 2rpa n ILE 69 CO 0.00 0.00 0.00 1.15 -1.76 0.00 0.00 176.55 175.94 2rpa n MET 70 N -1.98 4.43 -3.35 6.28 0.00 -0.52 -4.96 117.12 117.02 2rpa n MET 70 Ca -0.01 -3.09 -0.16 0.00 0.00 0.00 0.00 57.70 54.44 2rpa n MET 70 Cb 0.15 -2.17 -0.04 0.00 0.00 0.00 0.00 33.22 31.16 2rpa n MET 70 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2rpa n LYS 71 N 0.33 1.08 0.00 3.17 4.76 0.16 -5.04 118.16 122.63 2rpa n LYS 71 Ca 0.26 -1.90 0.12 0.00 -2.87 0.00 0.00 58.31 53.93 2rpa n LYS 71 Cb 1.13 0.73 0.17 0.00 -1.84 0.00 0.00 35.03 35.22 2rpa n LYS 71 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28