#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 3.84 -0.56 6.43 1.11 -1.26 -4.97 116.67 121.26 2rpa s ASP -4 Ca 0.00 2.28 -0.13 0.00 0.18 0.00 0.00 52.55 54.88 2rpa s ASP -4 Cb 0.00 -2.58 0.14 0.00 1.07 0.00 0.00 42.92 41.55 2rpa s ASP -4 CO 0.00 -2.50 0.48 -1.00 1.18 0.00 0.00 175.17 173.34 2rpa s HIS -3 N -2.22 3.38 -0.03 4.23 3.76 -1.26 -4.84 115.29 118.31 2rpa s HIS -3 Ca 0.72 -1.62 -0.05 0.00 -0.15 0.00 0.00 55.06 53.96 2rpa s HIS -3 Cb -0.27 -3.69 -0.03 0.00 1.11 0.00 0.00 32.58 29.71 2rpa s HIS -3 CO 0.50 -1.00 -0.11 -0.12 -0.85 0.00 0.00 174.74 173.15 2rpa n MET -2 N 4.92 0.17 -3.41 1.40 0.00 -1.26 -5.03 117.12 113.91 2rpa n MET -2 Ca -0.08 0.07 -0.13 0.00 0.00 0.00 0.00 57.70 57.56 2rpa n MET -2 Cb 0.41 -0.80 -0.10 0.00 0.00 0.00 0.00 33.22 32.74 2rpa n MET -2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 2rpa s THR -1 N -2.23 -0.48 -0.84 1.12 2.01 -1.26 -5.10 115.64 108.85 2rpa s THR -1 Ca -0.10 -0.13 -0.16 0.00 0.31 0.00 0.00 61.69 61.61 2rpa s THR -1 Cb 0.03 -0.78 0.18 0.00 0.01 0.00 0.00 72.50 71.93 2rpa s THR -1 CO 0.14 -0.19 0.88 -0.04 -0.69 0.00 0.00 174.62 174.73 2rpa s MET 1 N 2.45 3.56 0.32 4.92 -1.94 -1.26 -5.03 119.30 122.32 2rpa s MET 1 Ca 0.10 -2.13 -0.29 0.00 -1.71 0.00 0.00 55.69 51.66 2rpa s MET 1 Cb -0.15 -4.59 -0.12 0.00 2.01 0.00 0.00 34.83 31.98 2rpa s MET 1 CO -0.16 -1.48 1.32 0.43 -0.01 0.00 0.00 175.02 175.12 2rpa n SER 2 N 5.04 2.81 0.30 3.03 7.64 -1.26 -4.85 113.62 126.33 2rpa n SER 2 Ca 0.15 1.20 0.20 0.00 1.01 0.00 0.00 58.87 61.43 2rpa n SER 2 Cb 0.47 -1.48 0.97 0.00 -1.01 0.00 0.00 64.21 63.16 2rpa n SER 2 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2rpa h LEU 3 N 2.89 0.00 -0.40 -3.43 5.85 -2.02 -2.89 115.31 115.31 2rpa h LEU 3 Ca -0.46 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.33 2rpa h LEU 3 Cb 1.28 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.25 2rpa h LEU 3 CO 0.65 0.00 0.05 1.56 -0.34 0.00 0.00 178.44 180.37 2rpa h GLN 4 N 0.00 0.17 0.00 1.25 1.08 -1.99 0.13 115.11 115.75 2rpa h GLN 4 Ca 0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2rpa h GLN 4 Cb 0.23 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 2rpa h GLN 4 CO 0.00 0.11 0.40 1.98 -0.95 0.00 0.00 178.83 180.38 2rpa h MET 5 N 0.17 0.00 0.00 1.46 4.05 -1.89 0.30 114.93 119.02 2rpa h MET 5 Ca 0.19 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.61 2rpa h MET 5 Cb 0.24 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 2rpa h MET 5 CO -0.27 0.00 -0.38 -0.89 0.23 0.00 0.00 176.91 175.59 2rpa n ILE 6 N -2.56 0.74 -0.18 1.77 2.08 0.35 -4.10 119.36 117.46 2rpa n ILE 6 Ca -0.01 0.34 0.22 0.00 0.56 0.00 0.00 62.75 63.85 2rpa n ILE 6 Cb 0.44 -1.94 0.60 0.00 -0.75 0.00 0.00 39.64 37.99 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 -0.51 0.65 -0.84 1.39 -1.51 -0.98 0.61 116.25 115.06 2rpa h VAL 7 Ca 0.00 -0.08 -0.01 0.00 -1.23 0.00 0.00 66.70 65.38 2rpa h VAL 7 Cb 0.38 0.41 -0.04 0.00 -2.13 0.00 0.00 31.29 29.91 2rpa h VAL 7 CO 0.00 0.04 0.49 1.05 -1.23 0.00 0.00 177.57 177.92 2rpa h GLU 8 N 0.22 1.16 -0.71 5.19 4.11 -0.63 -2.02 114.58 121.91 2rpa h GLU 8 Ca 0.42 -0.12 0.17 0.00 0.07 0.00 0.00 59.36 59.90 2rpa h GLU 8 Cb 1.30 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 30.27 2rpa h GLU 8 CO -0.10 0.83 0.49 -0.91 0.07 0.00 0.00 179.01 179.39 2rpa h ASN 9 N 1.16 0.21 -0.99 3.06 2.35 -1.02 -0.31 115.58 120.05 2rpa h ASN 9 Ca 0.30 0.01 0.10 0.00 -0.55 0.00 0.00 56.30 56.16 2rpa h ASN 9 Cb -0.01 -0.03 -0.08 0.00 0.05 0.00 0.00 38.32 38.25 2rpa h ASN 9 CO -0.05 0.11 0.62 0.58 -1.65 0.00 0.00 177.43 177.04 2rpa h VAL 10 N 0.23 0.98 -0.06 2.81 2.07 -1.40 0.08 116.25 120.96 2rpa h VAL 10 Ca 0.34 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 2rpa h VAL 10 Cb 1.03 -0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2rpa h VAL 10 CO -0.07 0.19 -0.03 0.11 0.02 0.00 0.00 177.57 177.79 2rpa h LYS 11 N 1.04 0.08 -0.41 1.57 1.79 -1.16 -1.61 116.57 117.88 2rpa h LYS 11 Ca 0.46 -0.01 -0.14 0.00 -2.18 0.00 0.00 60.65 58.79 2rpa h LYS 11 Cb 0.36 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.98 2rpa h LYS 11 CO -0.23 0.12 -0.28 1.25 -1.08 0.00 0.00 179.45 179.23 2rpa h LEU 12 N 0.08 0.92 -0.10 2.94 7.12 -1.03 -2.76 115.31 122.48 2rpa h LEU 12 Ca 0.02 -0.37 -0.05 0.00 0.13 0.00 0.00 57.88 57.60 2rpa h LEU 12 Cb 0.11 -0.26 -0.00 0.00 -0.53 0.00 0.00 40.66 39.98 2rpa h LEU 12 CO 0.00 1.14 -0.15 0.00 -0.13 0.00 0.00 178.44 179.30 2rpa h ALA 13 N 0.92 0.16 -0.65 1.25 0.00 -1.14 -3.05 119.26 116.74 2rpa h ALA 13 Ca 0.09 -0.34 0.11 0.00 0.00 0.00 0.00 54.91 54.78 2rpa h ALA 13 Cb 0.84 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.52 2rpa h ALA 13 CO 0.07 0.05 0.22 -0.09 0.00 0.00 0.00 179.25 179.50 2rpa h ARG 14 N -0.14 0.36 -0.51 0.00 2.43 -1.33 0.66 114.38 115.86 2rpa h ARG 14 Ca 0.01 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2rpa h ARG 14 Cb 0.70 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 2rpa h ARG 14 CO 0.03 0.24 0.34 1.49 -1.51 0.00 0.00 179.97 180.56 2rpa h GLU 15 N 0.37 0.65 -0.04 0.20 4.81 -1.50 -1.34 114.58 117.73 2rpa h GLU 15 Ca 0.34 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.41 2rpa h GLU 15 Cb 0.48 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 2rpa h GLU 15 CO -0.37 0.43 -0.55 1.88 -0.73 0.00 0.00 179.01 179.67 2rpa h TYR 16 N 0.67 0.13 -0.35 0.92 -1.99 -0.81 -2.52 116.97 113.04 2rpa h TYR 16 Ca 0.19 -0.05 -0.11 0.00 2.00 0.00 0.00 58.73 60.76 2rpa h TYR 16 Cb -0.06 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 38.64 2rpa h TYR 16 CO -0.00 0.64 -0.23 0.00 -0.00 0.00 0.00 178.16 178.57 2rpa h ALA 17 N 1.35 0.50 0.25 3.88 0.00 -0.14 1.54 119.26 126.65 2rpa h ALA 17 Ca -0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2rpa h ALA 17 Cb 1.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2rpa h ALA 17 CO 0.08 0.47 -0.12 -0.07 0.00 0.00 0.00 179.25 179.61 2rpa h LEU 18 N 0.55 -0.28 -1.08 0.00 3.38 -1.38 -3.09 115.31 113.42 2rpa h LEU 18 Ca 0.07 -0.19 0.19 0.00 0.09 0.00 0.00 57.88 58.04 2rpa h LEU 18 Cb 0.78 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.51 2rpa h LEU 18 CO 0.06 0.06 0.61 -0.07 0.09 0.00 0.00 178.44 179.19 2rpa h LEU 19 N -0.66 0.74 0.00 1.67 4.07 -1.51 -3.45 115.31 116.17 2rpa h LEU 19 Ca -0.03 0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.02 2rpa h LEU 19 Cb 0.46 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.16 2rpa h LEU 19 CO 0.06 0.26 0.00 0.61 -1.08 0.00 0.00 178.44 178.29 2rpa n GLY 20 N -1.35 0.25 3.38 0.83 0.00 -0.96 -5.08 105.19 102.25 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 0.00 6.91 -0.04 1.61 3.04 0.52 -4.80 114.94 122.18 2rpa s ASN 21 Ca 0.00 -2.80 -0.05 0.00 0.04 0.00 0.00 52.86 50.05 2rpa s ASN 21 Cb 0.00 -2.28 -0.28 0.00 -1.54 0.00 0.00 41.25 37.15 2rpa s ASN 21 CO 0.00 -0.64 0.69 1.88 -3.04 0.00 0.00 177.10 175.99 2rpa h TYR 22 N 7.67 0.52 -0.91 0.43 -1.99 -1.81 -2.90 116.97 117.98 2rpa h TYR 22 Ca 0.16 -0.38 0.16 0.00 2.00 0.00 0.00 58.73 60.67 2rpa h TYR 22 Cb 0.97 -0.02 -0.07 0.00 2.00 0.00 0.00 36.73 39.61 2rpa h TYR 22 CO 1.01 1.53 0.59 0.22 -0.00 0.00 0.00 178.16 181.51 2rpa h ASP 23 N 0.08 0.63 0.72 3.88 3.58 -1.92 0.98 116.42 124.37 2rpa h ASP 23 Ca -0.31 0.05 -0.17 0.00 0.42 0.00 0.00 57.03 57.02 2rpa h ASP 23 Cb 2.05 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 43.01 2rpa h ASP 23 CO 0.15 0.30 -0.78 0.28 -2.88 0.00 0.00 179.24 176.31 2rpa h SER 24 N 0.66 0.05 -0.27 2.28 0.02 -1.95 -3.24 113.55 111.10 2rpa h SER 24 Ca 0.47 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.38 2rpa h SER 24 Cb 0.82 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 2rpa h SER 24 CO -0.23 0.81 0.14 0.00 -1.14 0.00 0.00 176.83 176.42 2rpa h ALA 25 N 1.19 0.35 -0.61 3.77 0.00 -0.88 -2.53 119.26 120.55 2rpa h ALA 25 Ca -0.01 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.86 2rpa h ALA 25 Cb 1.37 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 2rpa h ALA 25 CO 0.11 -0.12 0.40 0.52 0.00 0.00 0.00 179.25 180.16 2rpa h MET 26 N 0.31 0.69 -0.26 0.00 2.07 -1.47 -0.22 114.93 116.05 2rpa h MET 26 Ca 0.09 -0.04 0.01 0.00 -2.07 0.00 0.00 59.70 57.69 2rpa h MET 26 Cb 0.08 -0.15 -0.02 0.00 -1.87 0.00 0.00 31.60 29.64 2rpa h MET 26 CO -0.01 0.45 0.16 0.28 1.07 0.00 0.00 176.91 178.86 2rpa h VAL 27 N 0.71 1.04 -0.11 -2.22 2.07 -1.48 0.29 116.25 116.54 2rpa h VAL 27 Ca 0.25 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.59 2rpa h VAL 27 Cb 0.10 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2rpa h VAL 27 CO -0.07 0.06 -0.18 1.88 0.02 0.00 0.00 177.57 179.28 2rpa h TYR 28 N 0.32 0.40 0.13 1.57 -1.99 -1.22 -2.96 116.97 113.22 2rpa h TYR 28 Ca 0.10 -0.14 0.02 0.00 2.00 0.00 0.00 58.73 60.71 2rpa h TYR 28 Cb -0.01 -0.08 -0.04 0.00 2.00 0.00 0.00 36.73 38.60 2rpa h TYR 28 CO -0.07 0.78 -0.29 1.88 -0.00 0.00 0.00 178.16 180.46 2rpa h TYR 29 N -0.10 -0.78 -0.92 4.88 0.05 -0.95 0.19 116.97 119.34 2rpa h TYR 29 Ca 0.01 0.02 0.19 0.00 0.05 0.00 0.00 58.73 58.99 2rpa h TYR 29 Cb 0.75 0.33 -0.08 0.00 1.01 0.00 0.00 36.73 38.74 2rpa h TYR 29 CO 0.10 -0.40 0.60 0.37 -1.05 0.00 0.00 178.16 177.78 2rpa h GLN 30 N -0.51 0.52 0.02 4.88 5.75 -1.01 -1.41 115.11 123.35 2rpa h GLN 30 Ca 0.03 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2rpa h GLN 30 Cb 0.54 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.97 2rpa h GLN 30 CO -0.16 0.35 -0.01 0.78 -2.65 0.00 0.00 178.83 177.14 2rpa h GLY 31 N 0.54 -0.02 0.17 2.39 0.00 -1.11 -2.90 103.07 102.13 2rpa h GLY 31 Ca 0.49 0.01 0.07 0.00 0.00 0.00 0.00 47.33 47.90 2rpa h GLY 31 CO -0.22 -0.01 -0.15 -2.08 0.00 0.00 0.00 176.54 174.07 2rpa h VAL 32 N -0.71 0.51 -0.35 4.60 2.07 -0.02 -0.77 116.25 121.60 2rpa h VAL 32 Ca -0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 2rpa h VAL 32 Cb 0.67 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 2rpa h VAL 32 CO 0.00 0.00 0.08 -0.07 0.02 0.00 0.00 177.57 177.61 2rpa h LEU 33 N -0.09 0.04 -0.68 2.57 3.38 -1.39 0.38 115.31 119.53 2rpa h LEU 33 Ca 0.18 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.28 2rpa h LEU 33 Cb 0.36 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.11 2rpa h LEU 33 CO -0.41 0.06 0.35 0.44 0.09 0.00 0.00 178.44 178.97 2rpa h ASP 34 N 0.21 0.47 0.01 -0.43 3.32 -1.12 -1.71 116.42 117.17 2rpa h ASP 34 Ca 0.16 0.05 -0.17 0.00 0.02 0.00 0.00 57.03 57.09 2rpa h ASP 34 Cb 0.17 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 2rpa h ASP 34 CO -0.20 0.28 -0.60 1.56 -1.72 0.00 0.00 179.24 178.56 2rpa h GLN 35 N 0.61 0.59 -0.28 3.56 1.08 -0.48 -3.22 115.11 116.97 2rpa h GLN 35 Ca 0.33 -0.40 0.06 0.00 -1.45 0.00 0.00 58.65 57.18 2rpa h GLN 35 Cb 0.30 0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.74 2rpa h GLN 35 CO -0.24 1.01 -0.06 0.52 -0.95 0.00 0.00 178.83 179.12 2rpa h MET 36 N 0.44 0.01 -0.43 1.46 2.86 0.61 -2.19 114.93 117.69 2rpa h MET 36 Ca -0.00 -0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.71 2rpa h MET 36 Cb 1.16 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.76 2rpa h MET 36 CO 0.11 0.01 0.06 -0.91 1.06 0.00 0.00 176.91 177.25 2rpa h ASN 37 N 0.01 -0.04 -0.95 1.22 2.35 -1.41 -0.66 115.58 116.11 2rpa h ASN 37 Ca 0.14 0.08 0.19 0.00 -0.55 0.00 0.00 56.30 56.16 2rpa h ASN 37 Cb 0.20 0.12 -0.08 0.00 0.05 0.00 0.00 38.32 38.61 2rpa h ASN 37 CO -0.28 0.01 0.61 0.11 -1.65 0.00 0.00 177.43 176.23 2rpa h LYS 38 N 0.19 0.58 0.02 0.81 1.57 -1.42 0.13 116.57 118.45 2rpa h LYS 38 Ca 0.21 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2rpa h LYS 38 Cb 0.28 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2rpa h LYS 38 CO -0.30 0.38 -0.01 -0.92 -0.57 0.00 0.00 179.45 178.04 2rpa h TYR 39 N 0.59 -0.02 -0.19 -1.35 5.03 -0.76 -2.05 116.97 118.22 2rpa h TYR 39 Ca 0.51 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.81 2rpa h TYR 39 Cb 1.01 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 39.28 2rpa h TYR 39 CO -0.00 0.41 0.07 -0.07 -1.32 0.00 0.00 178.16 177.24 2rpa h LEU 40 N -0.46 0.23 -0.44 2.82 3.38 -0.58 0.54 115.31 120.80 2rpa h LEU 40 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2rpa h LEU 40 Cb 0.44 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2rpa h LEU 40 CO 0.00 0.23 -0.03 0.00 0.09 0.00 0.00 178.44 178.73 2rpa n TYR 41 N -4.45 0.00 -0.04 1.13 4.19 0.36 -3.53 117.16 114.83 2rpa n TYR 41 Ca -0.00 0.00 0.01 0.00 3.31 0.00 0.00 57.90 61.21 2rpa n TYR 41 Cb 0.13 -0.04 -0.12 0.00 0.49 0.00 0.00 39.34 39.80 2rpa n TYR 41 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 2rpa n SER 42 N -0.51 1.51 -4.64 2.98 2.88 0.06 -4.93 113.62 110.98 2rpa n SER 42 Ca 0.20 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.31 2rpa n SER 42 Cb 0.25 1.28 -0.03 0.00 -0.75 0.00 0.00 64.21 64.96 2rpa n SER 42 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2rpa s VAL 43 N -2.71 4.65 0.35 2.46 0.11 -0.49 -4.92 120.40 119.85 2rpa s VAL 43 Ca -0.06 1.63 0.06 0.00 -2.93 0.00 0.00 61.98 60.68 2rpa s VAL 43 Cb 0.07 -4.29 0.15 0.00 -1.53 0.00 0.00 36.38 30.78 2rpa s VAL 43 CO 0.61 -0.32 1.87 0.11 -3.33 0.00 0.00 175.10 174.04 2rpa h LYS 44 N 7.93 0.41 -5.73 1.54 1.79 -1.91 -3.39 116.57 117.20 2rpa h LYS 44 Ca -0.21 -0.10 -0.31 0.00 -2.18 0.00 0.00 60.65 57.85 2rpa h LYS 44 Cb 1.07 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.63 2rpa h LYS 44 CO 0.97 0.50 0.83 -0.51 -1.08 0.00 0.00 179.45 180.15 2rpa s ASP 45 N -6.80 5.01 0.21 0.86 1.01 -1.26 -4.83 116.67 110.86 2rpa s ASP 45 Ca -0.07 -0.31 -0.15 0.00 0.71 0.00 0.00 52.55 52.73 2rpa s ASP 45 Cb 0.15 -2.55 0.21 0.00 1.01 0.00 0.00 42.92 41.75 2rpa s ASP 45 CO 0.75 -2.79 1.62 0.71 0.21 0.00 0.00 175.17 175.67 2rpa h THR 46 N 7.24 0.31 -0.83 -1.27 1.35 -1.96 0.58 112.91 118.34 2rpa h THR 46 Ca -0.00 0.00 0.24 0.00 -0.55 0.00 0.00 66.41 66.10 2rpa h THR 46 Cb 1.05 0.31 -0.03 0.00 -1.73 0.00 0.00 68.15 67.75 2rpa h THR 46 CO 1.19 0.00 0.63 0.45 -0.25 0.00 0.00 175.52 177.54 2rpa h HIS 47 N -0.04 0.00 0.11 4.73 3.86 -1.95 0.35 115.15 122.21 2rpa h HIS 47 Ca 0.29 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.49 2rpa h HIS 47 Cb 0.49 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.96 2rpa h HIS 47 CO -0.54 0.00 -0.05 1.25 0.86 0.00 0.00 177.93 179.44 2rpa h LEU 48 N 0.00 -0.13 -1.30 2.43 6.46 -0.22 -3.11 115.31 119.44 2rpa h LEU 48 Ca 0.39 -0.44 -0.07 0.00 -0.12 0.00 0.00 57.88 57.64 2rpa h LEU 48 Cb 1.65 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 41.61 2rpa h LEU 48 CO -0.00 0.44 -0.33 0.08 -0.62 0.00 0.00 178.44 178.01 2rpa h ARG 49 N -0.77 0.04 -0.49 1.25 0.11 -0.78 -2.65 114.38 111.09 2rpa h ARG 49 Ca -0.02 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 60.05 2rpa h ARG 49 Cb 0.56 -0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.61 2rpa h ARG 49 CO 0.02 0.37 0.30 1.96 0.10 0.00 0.00 179.97 182.72 2rpa h GLN 50 N 0.04 0.66 -0.20 0.08 7.50 -0.40 0.30 115.11 123.09 2rpa h GLN 50 Ca 0.00 -0.05 -0.20 0.00 0.50 0.00 0.00 58.65 58.91 2rpa h GLN 50 Cb 0.60 -0.14 0.01 0.00 0.05 0.00 0.00 27.48 27.99 2rpa h GLN 50 CO 0.04 0.46 -0.65 -0.22 -1.50 0.00 0.00 178.83 176.97 2rpa h LYS 51 N 0.67 0.79 -0.08 1.46 3.64 -1.40 -3.12 116.57 118.53 2rpa h LYS 51 Ca 0.18 -0.58 -0.17 0.00 -1.27 0.00 0.00 60.65 58.81 2rpa h LYS 51 Cb -0.03 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 2rpa h LYS 51 CO -0.03 1.20 -0.67 -1.49 -2.27 0.00 0.00 179.45 176.19 2rpa h TRP 52 N 0.53 0.46 0.04 1.91 -0.00 -1.34 -3.20 115.95 114.35 2rpa h TRP 52 Ca -0.02 -0.19 0.02 0.00 -0.00 0.00 0.00 58.89 58.70 2rpa h TRP 52 Cb 1.27 -0.08 -0.03 0.00 -0.00 0.00 0.00 29.16 30.32 2rpa h TRP 52 CO 0.09 0.91 -0.18 0.37 -0.00 0.00 0.00 178.44 179.63 2rpa h GLN 53 N 0.25 -0.30 -0.83 0.49 4.15 -0.42 0.28 115.11 118.72 2rpa h GLN 53 Ca -0.02 0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.52 2rpa h GLN 53 Cb 1.22 0.07 -0.06 0.00 0.21 0.00 0.00 27.48 28.92 2rpa h GLN 53 CO 0.11 -0.20 0.54 -0.56 -1.93 0.00 0.00 178.83 176.79 2rpa h GLN 54 N -0.31 0.75 -0.07 1.69 3.07 -1.59 -1.05 115.11 117.60 2rpa h GLN 54 Ca 0.04 -0.05 -0.19 0.00 0.09 0.00 0.00 58.65 58.55 2rpa h GLN 54 Cb 0.36 -0.17 -0.00 0.00 0.08 0.00 0.00 27.48 27.75 2rpa h GLN 54 CO -0.14 0.50 -0.74 0.28 0.09 0.00 0.00 178.83 178.81 2rpa h VAL 55 N 0.77 1.38 -0.69 1.86 2.07 -1.34 -3.13 116.25 117.18 2rpa h VAL 55 Ca 0.39 -2.17 0.14 0.00 0.82 0.00 0.00 66.70 65.88 2rpa h VAL 55 Cb 0.46 2.14 -0.04 0.00 -1.52 0.00 0.00 31.29 32.32 2rpa h VAL 55 CO -0.16 0.65 0.47 -0.25 0.02 0.00 0.00 177.57 178.30 2rpa h TRP 56 N 0.27 0.37 -0.39 1.57 7.01 0.88 -0.49 115.95 125.16 2rpa h TRP 56 Ca -0.03 0.01 -0.14 0.00 2.11 0.00 0.00 58.89 60.84 2rpa h TRP 56 Cb 1.32 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 28.25 2rpa h TRP 56 CO 0.04 0.15 -0.31 1.96 -2.79 0.00 0.00 178.44 177.49 2rpa h GLN 57 N 0.33 0.90 -0.13 2.65 1.08 -1.47 -0.75 115.11 117.72 2rpa h GLN 57 Ca 0.33 -0.45 -0.03 0.00 -1.45 0.00 0.00 58.65 57.05 2rpa h GLN 57 Cb 0.85 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.27 2rpa h GLN 57 CO -0.09 1.10 -0.07 0.93 -0.95 0.00 0.00 178.83 179.75 2rpa h GLU 58 N 0.72 0.19 0.12 1.46 5.08 -1.18 0.62 114.58 121.59 2rpa h GLU 58 Ca 0.07 -0.03 -0.29 0.00 -1.00 0.00 0.00 59.36 58.11 2rpa h GLU 58 Cb 0.89 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 2rpa h GLU 58 CO 0.08 0.27 -1.39 0.82 -1.00 0.00 0.00 179.01 177.79 2rpa h ILE 59 N 0.18 1.32 -0.00 3.13 2.04 -1.26 -2.50 117.51 120.42 2rpa h ILE 59 Ca 0.04 -2.93 -0.14 0.00 1.00 0.00 0.00 64.86 62.84 2rpa h ILE 59 Cb 0.25 2.85 -0.02 0.00 -0.74 0.00 0.00 36.82 39.16 2rpa h ILE 59 CO 0.01 0.85 -0.64 -1.13 0.00 0.00 0.00 178.15 177.24 2rpa h ASN 60 N 0.07 0.01 0.10 1.72 -1.24 -0.75 -2.62 115.58 112.87 2rpa h ASN 60 Ca -0.19 -0.01 -0.13 0.00 0.71 0.00 0.00 56.30 56.68 2rpa h ASN 60 Cb 2.00 -0.00 0.02 0.00 0.73 0.00 0.00 38.32 41.06 2rpa h ASN 60 CO 0.18 0.65 -0.58 1.62 -1.29 0.00 0.00 177.43 178.02 2rpa h VAL 61 N 0.01 1.60 -0.13 2.57 3.04 -0.97 -3.28 116.25 119.08 2rpa h VAL 61 Ca -0.01 -2.47 -0.00 0.00 -1.01 0.00 0.00 66.70 63.21 2rpa h VAL 61 Cb 1.14 3.25 -0.01 0.00 -2.01 0.00 0.00 31.29 33.66 2rpa h VAL 61 CO 0.08 0.68 0.07 1.05 -1.01 0.00 0.00 177.57 178.45 2rpa h GLU 62 N -0.55 0.17 -0.12 4.17 4.11 -1.49 -1.24 114.58 119.63 2rpa h GLU 62 Ca -0.10 -0.01 -0.07 0.00 0.07 0.00 0.00 59.36 59.25 2rpa h GLU 62 Cb 1.45 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 2rpa h GLU 62 CO 0.11 0.13 -0.23 0.00 0.07 0.00 0.00 179.01 179.09 2rpa h ALA 63 N 1.91 1.40 -0.35 1.06 0.00 -1.55 -2.82 119.26 118.91 2rpa h ALA 63 Ca 0.05 -0.27 -0.17 0.00 0.00 0.00 0.00 54.91 54.51 2rpa h ALA 63 Cb 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2rpa h ALA 63 CO -0.01 0.42 -0.45 -0.22 0.00 0.00 0.00 179.25 178.99 2rpa h LYS 64 N 0.19 0.91 -0.67 0.00 3.64 -1.28 -3.17 116.57 116.19 2rpa h LYS 64 Ca 0.03 -0.52 0.09 0.00 -1.27 0.00 0.00 60.65 58.98 2rpa h LYS 64 Cb 0.52 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.30 2rpa h LYS 64 CO 0.04 1.17 0.31 1.96 -2.27 0.00 0.00 179.45 180.65 2rpa h GLN 65 N 0.73 0.51 -0.86 1.90 7.50 -1.34 -0.50 115.11 123.05 2rpa h GLN 65 Ca 0.04 -0.03 0.18 0.00 0.50 0.00 0.00 58.65 59.34 2rpa h GLN 65 Cb 1.05 -0.12 -0.06 0.00 0.05 0.00 0.00 27.48 28.40 2rpa h GLN 65 CO 0.11 0.34 0.57 0.28 -1.50 0.00 0.00 178.83 178.62 2rpa h VAL 66 N 0.53 0.74 -0.28 -0.54 2.07 -1.51 0.19 116.25 117.44 2rpa h VAL 66 Ca 0.33 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 2rpa h VAL 66 Cb 0.36 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 2rpa h VAL 66 CO -0.28 0.08 0.13 0.50 0.02 0.00 0.00 177.57 178.02 2rpa h LYS 67 N 0.46 0.38 0.10 1.57 3.64 -1.16 -0.65 116.57 120.91 2rpa h LYS 67 Ca 0.44 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.78 2rpa h LYS 67 Cb 1.01 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 2rpa h LYS 67 CO -0.17 0.31 -0.05 0.22 -2.27 0.00 0.00 179.45 177.49 2rpa h ASP 68 N 0.39 -0.12 -0.99 4.20 3.58 -0.63 -3.33 116.42 119.51 2rpa h ASP 68 Ca 0.10 -0.07 0.21 0.00 0.42 0.00 0.00 57.03 57.70 2rpa h ASP 68 Cb 0.06 0.03 -0.11 0.00 1.72 0.00 0.00 39.33 41.02 2rpa h ASP 68 CO -0.01 0.39 0.58 0.16 -2.88 0.00 0.00 179.24 177.48 2rpa h ILE 69 N -1.03 0.62 -4.16 2.25 3.07 -1.36 -3.41 117.51 113.49 2rpa h ILE 69 Ca -0.01 -0.23 -0.52 0.00 1.55 0.00 0.00 64.86 65.65 2rpa h ILE 69 Cb 0.18 -0.09 0.12 0.00 -0.27 0.00 0.00 36.82 36.75 2rpa h ILE 69 CO 0.02 0.12 0.40 0.00 -1.05 0.00 0.00 178.15 177.65 2rpa s MET 70 N -5.83 2.65 0.14 0.16 0.23 -0.26 -5.05 119.30 111.33 2rpa s MET 70 Ca -0.11 1.61 0.07 0.00 -1.03 0.00 0.00 55.69 56.23 2rpa s MET 70 Cb 0.26 -1.91 -0.04 0.00 -1.53 0.00 0.00 34.83 31.61 2rpa s MET 70 CO 0.80 -1.41 -0.16 0.21 -2.03 0.00 0.00 175.02 172.43 2rpa s LYS 71 N -3.82 1.12 0.00 3.16 2.47 -1.26 -4.93 119.74 116.47 2rpa s LYS 71 Ca 0.72 -1.31 0.14 0.00 -1.56 0.00 0.00 55.97 53.96 2rpa s LYS 71 Cb -0.25 -1.07 0.11 0.00 -1.46 0.00 0.00 37.83 35.15 2rpa s LYS 71 CO 0.40 0.21 0.95 0.25 0.16 0.00 0.00 175.35 177.32