#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpa n ASP -4 N 0.00 -2.74 -3.96 6.43 8.00 -1.26 -4.94 116.55 118.07 2rpa n ASP -4 Ca 0.00 -0.91 -0.09 0.00 0.71 0.00 0.00 54.79 54.50 2rpa n ASP -4 Cb 0.00 -3.34 -0.05 0.00 -0.02 0.00 0.00 41.12 37.71 2rpa n ASP -4 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2rpa s HIS -3 N -3.51 0.32 0.35 1.24 3.76 -1.26 -5.19 115.29 111.00 2rpa s HIS -3 Ca 0.44 -0.69 -0.11 0.00 -0.15 0.00 0.00 55.06 54.55 2rpa s HIS -3 Cb -0.23 0.24 0.03 0.00 1.11 0.00 0.00 32.58 33.73 2rpa s HIS -3 CO 0.87 -1.03 0.65 -1.64 -0.85 0.00 0.00 174.74 172.74 2rpa s MET -2 N -3.98 2.04 0.18 1.40 -1.94 -1.26 -5.19 119.30 110.55 2rpa s MET -2 Ca 0.21 -1.51 0.03 0.00 -1.71 0.00 0.00 55.69 52.71 2rpa s MET -2 Cb -0.01 0.55 -0.01 0.00 2.01 0.00 0.00 34.83 37.37 2rpa s MET -2 CO 0.09 -0.91 0.19 -2.37 -0.01 0.00 0.00 175.02 172.01 2rpa n THR -1 N -0.53 0.00 -3.73 2.05 5.66 -1.26 -5.11 114.28 111.37 2rpa n THR -1 Ca -0.04 -1.21 -0.34 0.00 -3.05 0.00 0.00 64.05 59.41 2rpa n THR -1 Cb 0.61 0.64 -0.09 0.00 -1.55 0.00 0.00 70.33 69.94 2rpa n THR -1 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2rpa s MET 1 N -2.64 2.92 -0.28 1.09 0.23 -1.26 -5.01 119.30 114.35 2rpa s MET 1 Ca 0.20 -3.16 -0.18 0.00 -1.03 0.00 0.00 55.69 51.52 2rpa s MET 1 Cb 0.01 -3.77 0.10 0.00 -1.53 0.00 0.00 34.83 29.64 2rpa s MET 1 CO 0.14 -1.25 0.78 -1.12 -2.03 0.00 0.00 175.02 171.54 2rpa s SER 2 N -0.35 -0.79 0.40 -1.18 0.01 -1.26 -5.03 113.70 105.49 2rpa s SER 2 Ca 0.25 1.31 0.11 0.00 1.31 0.00 0.00 55.95 58.93 2rpa s SER 2 Cb -0.09 1.33 0.82 0.00 0.21 0.00 0.00 66.02 68.29 2rpa s SER 2 CO -0.12 -0.21 1.91 0.25 0.41 0.00 0.00 173.24 175.49 2rpa h LEU 3 N 6.39 0.12 -0.25 2.44 7.12 -2.01 -3.01 115.31 126.11 2rpa h LEU 3 Ca -0.29 -0.03 0.06 0.00 0.13 0.00 0.00 57.88 57.75 2rpa h LEU 3 Cb 1.21 -0.03 -0.07 0.00 -0.53 0.00 0.00 40.66 41.24 2rpa h LEU 3 CO 0.15 0.33 -0.19 1.56 -0.13 0.00 0.00 178.44 180.17 2rpa h GLN 4 N 0.12 -0.17 0.00 1.25 1.08 -1.98 0.29 115.11 115.70 2rpa h GLN 4 Ca 0.02 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2rpa h GLN 4 Cb 0.43 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 2rpa h GLN 4 CO 0.03 -0.12 0.34 1.98 -0.95 0.00 0.00 178.83 180.12 2rpa h MET 5 N -0.18 0.00 0.00 1.46 4.05 -1.96 0.30 114.93 118.60 2rpa h MET 5 Ca 0.14 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.56 2rpa h MET 5 Cb 0.39 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.19 2rpa h MET 5 CO -0.36 0.00 -0.34 -0.89 0.23 0.00 0.00 176.91 175.55 2rpa n ILE 6 N -2.57 0.74 -0.12 1.77 2.08 0.87 -3.97 119.36 118.16 2rpa n ILE 6 Ca -0.02 0.34 0.19 0.00 0.56 0.00 0.00 62.75 63.83 2rpa n ILE 6 Cb 0.38 -1.95 0.60 0.00 -0.75 0.00 0.00 39.64 37.91 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 0.73 -0.80 1.39 -1.51 -0.79 -0.03 116.25 114.72 2rpa h VAL 7 Ca 0.00 -0.07 -0.03 0.00 -1.23 0.00 0.00 66.70 65.36 2rpa h VAL 7 Cb 0.34 0.49 -0.04 0.00 -2.13 0.00 0.00 31.29 29.96 2rpa h VAL 7 CO 0.00 0.04 0.37 1.05 -1.23 0.00 0.00 177.57 177.80 2rpa h GLU 8 N 0.22 1.16 -0.60 5.19 4.11 -0.61 -2.15 114.58 121.90 2rpa h GLU 8 Ca 0.35 -0.18 0.17 0.00 0.07 0.00 0.00 59.36 59.77 2rpa h GLU 8 Cb 1.06 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 2rpa h GLU 8 CO -0.07 0.90 0.43 -0.91 0.07 0.00 0.00 179.01 179.44 2rpa h ASN 9 N 1.14 0.01 -0.65 3.06 -0.26 -1.12 -0.74 115.58 117.01 2rpa h ASN 9 Ca 0.27 0.00 0.04 0.00 -0.56 0.00 0.00 56.30 56.06 2rpa h ASN 9 Cb 0.13 -0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.35 2rpa h ASN 9 CO -0.03 0.00 0.38 0.58 -1.06 0.00 0.00 177.43 177.30 2rpa h VAL 10 N 0.01 1.02 -0.68 2.81 2.07 -1.42 -1.20 116.25 118.86 2rpa h VAL 10 Ca 0.29 -0.25 0.16 0.00 0.82 0.00 0.00 66.70 67.72 2rpa h VAL 10 Cb 1.14 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 2rpa h VAL 10 CO -0.01 0.13 0.47 0.11 0.02 0.00 0.00 177.57 178.29 2rpa h LYS 11 N 0.72 0.21 -0.24 1.57 1.79 -1.24 0.13 116.57 119.51 2rpa h LYS 11 Ca 0.28 -0.01 -0.12 0.00 -2.18 0.00 0.00 60.65 58.62 2rpa h LYS 11 Cb 0.11 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 30.71 2rpa h LYS 11 CO -0.15 0.14 -0.32 1.25 -1.08 0.00 0.00 179.45 179.30 2rpa h LEU 12 N 0.22 0.70 -0.67 2.94 7.12 -1.30 -2.54 115.31 121.78 2rpa h LEU 12 Ca 0.33 -0.50 -0.14 0.00 0.13 0.00 0.00 57.88 57.70 2rpa h LEU 12 Cb 0.98 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.91 2rpa h LEU 12 CO -0.07 1.06 -0.50 0.00 -0.13 0.00 0.00 178.44 178.80 2rpa h ALA 13 N 0.66 0.85 -0.14 1.25 0.00 -0.90 -2.62 119.26 118.36 2rpa h ALA 13 Ca 0.03 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 2rpa h ALA 13 Cb 0.90 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2rpa h ALA 13 CO 0.07 0.67 -0.26 -0.09 0.00 0.00 0.00 179.25 179.65 2rpa h ARG 14 N 0.32 0.26 -0.07 0.00 2.43 -0.78 -2.62 114.38 113.92 2rpa h ARG 14 Ca 0.01 -0.09 -0.15 0.00 -0.81 0.00 0.00 59.98 58.94 2rpa h ARG 14 Cb 1.00 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.54 2rpa h ARG 14 CO 0.09 0.51 -0.55 1.49 -1.51 0.00 0.00 179.97 179.99 2rpa h GLU 15 N 0.24 0.50 -0.97 0.20 4.57 -1.30 -3.24 114.58 114.57 2rpa h GLU 15 Ca 0.04 -0.44 0.05 0.00 -1.18 0.00 0.00 59.36 57.83 2rpa h GLU 15 Cb 0.59 0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 29.22 2rpa h GLU 15 CO 0.04 1.08 0.63 1.88 -1.18 0.00 0.00 179.01 181.46 2rpa h TYR 16 N 0.08 1.17 -0.78 0.92 -1.99 -1.34 -1.26 116.97 113.76 2rpa h TYR 16 Ca -0.05 0.03 0.07 0.00 2.00 0.00 0.00 58.73 60.78 2rpa h TYR 16 Cb 1.21 -0.39 -0.05 0.00 2.00 0.00 0.00 36.73 39.51 2rpa h TYR 16 CO 0.12 0.63 0.51 0.00 -0.00 0.00 0.00 178.16 179.43 2rpa h ALA 17 N 1.46 1.66 0.07 3.88 0.00 -1.43 0.71 119.26 125.60 2rpa h ALA 17 Ca 0.41 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 2rpa h ALA 17 Cb 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2rpa h ALA 17 CO -0.15 0.21 -0.03 -0.07 0.00 0.00 0.00 179.25 179.21 2rpa h LEU 18 N 0.83 -0.08 -1.50 0.00 3.38 -1.31 -3.24 115.31 113.39 2rpa h LEU 18 Ca 0.34 -0.55 0.29 0.00 0.09 0.00 0.00 57.88 58.06 2rpa h LEU 18 Cb 0.27 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.95 2rpa h LEU 18 CO -0.12 0.58 0.72 -0.07 0.09 0.00 0.00 178.44 179.63 2rpa h LEU 19 N -0.81 0.33 0.00 1.67 3.38 -1.07 -3.44 115.31 115.37 2rpa h LEU 19 Ca -0.01 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2rpa h LEU 19 Cb 0.62 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2rpa h LEU 19 CO 0.02 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.20 2rpa n GLY 20 N -1.54 0.67 3.31 0.83 0.00 -0.78 -5.08 105.19 102.60 2rpa n GLY 20 Ca 0.26 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.55 6.77 0.03 1.61 3.04 0.17 -4.84 114.94 121.17 2rpa s ASN 21 Ca 0.00 -2.99 -0.10 0.00 0.04 0.00 0.00 52.86 49.81 2rpa s ASN 21 Cb 0.00 -2.17 -0.32 0.00 -1.54 0.00 0.00 41.25 37.22 2rpa s ASN 21 CO 0.00 -0.47 0.99 1.88 -3.04 0.00 0.00 177.10 176.46 2rpa h TYR 22 N 7.36 0.72 -0.99 0.43 -1.99 -1.81 -3.16 116.97 117.53 2rpa h TYR 22 Ca 0.12 -0.53 0.20 0.00 2.00 0.00 0.00 58.73 60.52 2rpa h TYR 22 Cb 0.98 -0.03 -0.10 0.00 2.00 0.00 0.00 36.73 39.59 2rpa h TYR 22 CO 0.93 1.46 0.62 0.22 -0.00 0.00 0.00 178.16 181.39 2rpa h ASP 23 N 0.11 0.66 0.48 3.88 1.82 -1.94 0.23 116.42 121.66 2rpa h ASP 23 Ca -0.23 0.08 -0.15 0.00 -0.39 0.00 0.00 57.03 56.35 2rpa h ASP 23 Cb 2.08 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 42.04 2rpa h ASP 23 CO 0.23 0.23 -0.65 0.28 -1.61 0.00 0.00 179.24 177.72 2rpa h SER 24 N 0.64 0.19 -0.44 2.28 0.02 -1.96 -3.19 113.55 111.08 2rpa h SER 24 Ca 0.56 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.39 2rpa h SER 24 Cb 1.03 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 2rpa h SER 24 CO -0.32 0.78 0.26 0.00 -1.14 0.00 0.00 176.83 176.41 2rpa h ALA 25 N 1.21 0.56 -0.48 3.77 0.00 -0.61 -2.37 119.26 121.34 2rpa h ALA 25 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2rpa h ALA 25 Cb 1.17 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2rpa h ALA 25 CO 0.10 0.07 0.32 0.52 0.00 0.00 0.00 179.25 180.25 2rpa h MET 26 N 0.58 0.64 -0.25 0.00 2.07 -1.42 -0.61 114.93 115.93 2rpa h MET 26 Ca 0.16 -0.04 0.01 0.00 -2.07 0.00 0.00 59.70 57.76 2rpa h MET 26 Cb 0.02 -0.14 -0.02 0.00 -1.87 0.00 0.00 31.60 29.59 2rpa h MET 26 CO -0.03 0.42 0.14 0.28 1.07 0.00 0.00 176.91 178.79 2rpa h VAL 27 N 0.65 1.01 -0.09 -2.22 2.07 -1.43 0.73 116.25 116.98 2rpa h VAL 27 Ca 0.18 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.54 2rpa h VAL 27 Cb -0.07 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2rpa h VAL 27 CO -0.04 0.05 -0.15 1.88 0.02 0.00 0.00 177.57 179.33 2rpa h TYR 28 N 0.29 0.33 0.12 1.57 -1.99 -1.29 -2.99 116.97 113.01 2rpa h TYR 28 Ca 0.10 -0.11 0.02 0.00 2.00 0.00 0.00 58.73 60.73 2rpa h TYR 28 Cb 0.01 -0.06 -0.04 0.00 2.00 0.00 0.00 36.73 38.64 2rpa h TYR 28 CO -0.08 0.75 -0.29 1.88 -0.00 0.00 0.00 178.16 180.42 2rpa h TYR 29 N -0.19 -0.78 -0.93 4.88 0.05 -1.02 0.92 116.97 119.90 2rpa h TYR 29 Ca 0.01 0.02 0.21 0.00 0.05 0.00 0.00 58.73 59.01 2rpa h TYR 29 Cb 0.72 0.33 -0.07 0.00 1.01 0.00 0.00 36.73 38.72 2rpa h TYR 29 CO 0.11 -0.40 0.61 0.37 -1.05 0.00 0.00 178.16 177.80 2rpa h GLN 30 N -0.51 0.45 -0.05 4.88 5.75 -0.93 -1.32 115.11 123.39 2rpa h GLN 30 Ca 0.03 -0.03 -0.08 0.00 -0.15 0.00 0.00 58.65 58.42 2rpa h GLN 30 Cb 0.53 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.99 2rpa h GLN 30 CO -0.17 0.30 -0.29 0.78 -2.65 0.00 0.00 178.83 176.80 2rpa h GLY 31 N 0.47 0.32 0.54 2.39 0.00 -1.11 -2.88 103.07 102.78 2rpa h GLY 31 Ca 0.50 -0.46 0.06 0.00 0.00 0.00 0.00 47.33 47.43 2rpa h GLY 31 CO -0.22 0.41 0.08 -2.08 0.00 0.00 0.00 176.54 174.73 2rpa h VAL 32 N -0.25 0.81 -0.54 4.60 2.07 0.19 0.16 116.25 123.30 2rpa h VAL 32 Ca -0.02 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.44 2rpa h VAL 32 Cb 0.96 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 2rpa h VAL 32 CO 0.06 0.04 0.34 -0.07 0.02 0.00 0.00 177.57 177.95 2rpa h LEU 33 N 0.21 0.56 0.15 2.57 -0.00 -1.38 0.21 115.31 117.63 2rpa h LEU 33 Ca 0.19 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.06 2rpa h LEU 33 Cb 0.22 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 40.75 2rpa h LEU 33 CO -0.24 0.40 -0.07 0.44 -0.00 0.00 0.00 178.44 178.96 2rpa h ASP 34 N 0.67 -0.17 -0.14 -0.43 3.32 -1.17 -2.45 116.42 116.06 2rpa h ASP 34 Ca 0.21 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 2rpa h ASP 34 Cb -0.02 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2rpa h ASP 34 CO -0.08 0.04 0.06 1.56 -1.72 0.00 0.00 179.24 179.10 2rpa h GLN 35 N -0.38 0.26 0.16 3.56 1.08 -0.52 -2.71 115.11 116.55 2rpa h GLN 35 Ca -0.02 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 2rpa h GLN 35 Cb 0.30 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 2rpa h GLN 35 CO 0.03 0.24 -0.07 0.52 -0.95 0.00 0.00 178.83 178.60 2rpa h MET 36 N 0.26 -0.20 -0.24 1.46 2.86 -0.34 -2.69 114.93 116.05 2rpa h MET 36 Ca 0.07 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.77 2rpa h MET 36 Cb 0.09 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.74 2rpa h MET 36 CO -0.00 -0.04 -0.10 -0.91 1.06 0.00 0.00 176.91 176.91 2rpa h ASN 37 N -0.32 -0.35 -0.84 1.22 2.35 -1.14 -0.27 115.58 116.22 2rpa h ASN 37 Ca -0.02 0.09 0.21 0.00 -0.55 0.00 0.00 56.30 56.03 2rpa h ASN 37 Cb 0.25 0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.77 2rpa h ASN 37 CO 0.03 -0.13 0.58 0.11 -1.65 0.00 0.00 177.43 176.37 2rpa h LYS 38 N -0.07 0.21 -0.08 0.81 1.57 -1.43 0.98 116.57 118.55 2rpa h LYS 38 Ca 0.12 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.78 2rpa h LYS 38 Cb 0.26 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.52 2rpa h LYS 38 CO -0.28 0.14 -0.39 -0.92 -0.57 0.00 0.00 179.45 177.43 2rpa h TYR 39 N 0.21 0.54 -0.34 -1.35 5.03 -0.74 -3.14 116.97 117.19 2rpa h TYR 39 Ca 0.42 -0.24 -0.06 0.00 2.58 0.00 0.00 58.73 61.43 2rpa h TYR 39 Cb 1.32 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 39.50 2rpa h TYR 39 CO -0.00 0.99 -0.05 -0.07 -1.32 0.00 0.00 178.16 177.71 2rpa h LEU 40 N -0.06 0.52 -1.04 2.82 3.38 -0.14 -1.68 115.31 119.12 2rpa h LEU 40 Ca -0.03 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2rpa h LEU 40 Cb 1.04 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2rpa h LEU 40 CO 0.08 0.62 0.00 0.22 0.09 0.00 0.00 178.44 179.45 2rpa h TYR 41 N 0.52 0.00 -0.01 1.13 5.03 -0.91 -1.47 116.97 121.26 2rpa h TYR 41 Ca 0.10 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.41 2rpa h TYR 41 Cb 0.41 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.69 2rpa h TYR 41 CO 0.01 0.00 -0.40 0.45 -1.32 0.00 0.00 178.16 176.91 2rpa n SER 42 N -2.40 1.77 -4.79 -2.11 2.88 -0.64 -4.95 113.62 103.37 2rpa n SER 42 Ca 0.01 -1.35 -0.35 0.00 -1.33 0.00 0.00 58.87 55.85 2rpa n SER 42 Cb 0.20 0.37 -0.04 0.00 -0.75 0.00 0.00 64.21 63.98 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 -2.47 3.85 -0.08 2.46 1.01 -0.55 -4.97 120.40 119.64 2rpa s VAL 43 Ca 0.21 1.27 0.13 0.00 0.00 0.00 0.00 61.98 63.59 2rpa s VAL 43 Cb 0.18 -3.58 -0.19 0.00 0.00 0.00 0.00 36.38 32.79 2rpa s VAL 43 CO 0.55 -0.13 0.16 0.29 0.00 0.00 0.00 175.10 175.97 2rpa n LYS 44 N -0.50 1.21 -3.25 2.72 4.01 -1.26 -4.87 118.16 116.22 2rpa n LYS 44 Ca 0.07 -0.06 -0.45 0.00 -0.51 0.00 0.00 58.31 57.36 2rpa n LYS 44 Cb 0.51 -1.34 -0.06 0.00 -0.51 0.00 0.00 35.03 33.63 2rpa n LYS 44 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2rpa s ASP 45 N -4.20 6.19 0.40 4.39 2.15 -1.26 -4.93 116.67 119.41 2rpa s ASP 45 Ca -0.06 -1.30 0.21 0.00 0.43 0.00 0.00 52.55 51.83 2rpa s ASP 45 Cb 0.06 -2.25 1.20 0.00 -0.30 0.00 0.00 42.92 41.64 2rpa s ASP 45 CO 0.57 -0.86 1.70 0.00 -0.17 0.00 0.00 175.17 176.41 2rpa h THR 46 N 5.85 0.35 -0.34 1.71 1.03 -1.99 0.92 112.91 120.43 2rpa h THR 46 Ca -0.29 -0.10 -0.03 0.00 -0.01 0.00 0.00 66.41 65.98 2rpa h THR 46 Cb 1.10 0.04 -0.02 0.00 -1.07 0.00 0.00 68.15 68.20 2rpa h THR 46 CO 0.98 0.05 0.07 -0.74 -0.01 0.00 0.00 175.52 175.88 2rpa h HIS 47 N 0.29 0.51 0.07 0.00 6.17 -1.98 0.38 115.15 120.59 2rpa h HIS 47 Ca 0.70 -0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.74 2rpa h HIS 47 Cb 1.88 -0.16 0.00 0.00 2.52 0.00 0.00 27.41 31.65 2rpa h HIS 47 CO -0.00 0.45 -0.04 1.25 0.71 0.00 0.00 177.93 180.30 2rpa h LEU 48 N 0.50 -0.08 -1.26 0.26 5.85 0.44 -3.14 115.31 117.88 2rpa h LEU 48 Ca 0.12 -0.50 -0.07 0.00 0.84 0.00 0.00 57.88 58.26 2rpa h LEU 48 Cb 0.21 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2rpa h LEU 48 CO -0.00 0.51 -0.31 0.08 -0.34 0.00 0.00 178.44 178.38 2rpa h ARG 49 N -0.73 0.11 -0.18 1.25 0.11 -1.28 -2.57 114.38 111.09 2rpa h ARG 49 Ca -0.01 -0.04 -0.00 0.00 0.10 0.00 0.00 59.98 60.03 2rpa h ARG 49 Cb 0.58 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.64 2rpa h ARG 49 CO 0.02 0.41 0.10 1.96 0.10 0.00 0.00 179.97 182.55 2rpa h GLN 50 N 0.10 0.24 -0.23 0.08 1.08 -0.27 0.20 115.11 116.30 2rpa h GLN 50 Ca 0.01 -0.02 -0.15 0.00 -1.45 0.00 0.00 58.65 57.05 2rpa h GLN 50 Cb 0.59 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.97 2rpa h GLN 50 CO 0.04 0.18 -0.43 -0.22 -0.95 0.00 0.00 178.83 177.45 2rpa h LYS 51 N 0.25 0.70 -0.05 1.46 3.64 -1.41 -2.82 116.57 118.34 2rpa h LYS 51 Ca 0.07 -0.44 -0.18 0.00 -1.27 0.00 0.00 60.65 58.82 2rpa h LYS 51 Cb 0.01 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 2rpa h LYS 51 CO -0.01 1.07 -0.75 -1.49 -2.27 0.00 0.00 179.45 175.99 2rpa h TRP 52 N 0.42 0.45 0.23 1.91 -0.00 -1.40 -3.00 115.95 114.57 2rpa h TRP 52 Ca 0.01 -0.21 -0.01 0.00 -0.00 0.00 0.00 58.89 58.68 2rpa h TRP 52 Cb 1.03 -0.07 -0.00 0.00 -0.00 0.00 0.00 29.16 30.12 2rpa h TRP 52 CO 0.08 0.97 -0.13 0.37 -0.00 0.00 0.00 178.44 179.73 2rpa h GLN 53 N 0.22 -0.33 0.09 0.49 -0.00 -0.63 0.67 115.11 115.61 2rpa h GLN 53 Ca -0.03 0.02 0.01 0.00 -0.00 0.00 0.00 58.65 58.65 2rpa h GLN 53 Cb 1.33 0.07 -0.02 0.00 0.00 0.00 0.00 27.48 28.87 2rpa h GLN 53 CO 0.12 -0.22 -0.13 -0.56 0.00 0.00 0.00 178.83 178.04 2rpa h GLN 54 N -0.34 -0.26 -0.33 1.69 3.07 -1.56 -2.36 115.11 115.03 2rpa h GLN 54 Ca -0.03 0.02 -0.05 0.00 0.09 0.00 0.00 58.65 58.68 2rpa h GLN 54 Cb 0.27 0.06 -0.02 0.00 0.08 0.00 0.00 27.48 27.87 2rpa h GLN 54 CO 0.04 -0.17 -0.01 -0.24 0.09 0.00 0.00 178.83 178.53 2rpa h VAL 55 N -0.27 1.20 -0.55 1.86 3.04 -1.44 -2.87 116.25 117.22 2rpa h VAL 55 Ca 0.02 -0.79 0.09 0.00 -1.01 0.00 0.00 66.70 65.01 2rpa h VAL 55 Cb 0.28 0.97 -0.07 0.00 -2.01 0.00 0.00 31.29 30.46 2rpa h VAL 55 CO -0.07 0.27 0.14 -0.25 -1.01 0.00 0.00 177.57 176.65 2rpa h TRP 56 N 0.49 0.23 -0.67 3.17 7.01 0.88 -1.35 115.95 125.71 2rpa h TRP 56 Ca 0.10 0.03 0.11 0.00 2.11 0.00 0.00 58.89 61.25 2rpa h TRP 56 Cb 0.34 -0.02 -0.08 0.00 -2.10 0.00 0.00 29.16 27.30 2rpa h TRP 56 CO 0.01 0.01 0.25 0.37 -2.79 0.00 0.00 178.44 176.30 2rpa h GLN 57 N 0.29 0.41 -0.68 2.65 4.15 -1.26 -1.02 115.11 119.64 2rpa h GLN 57 Ca 0.28 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.72 2rpa h GLN 57 Cb 0.38 -0.09 -0.05 0.00 0.21 0.00 0.00 27.48 27.93 2rpa h GLN 57 CO -0.34 0.27 0.40 0.93 -1.93 0.00 0.00 178.83 178.16 2rpa h GLU 58 N 0.42 0.74 -0.72 1.69 4.39 -1.33 -0.98 114.58 118.79 2rpa h GLU 58 Ca 0.35 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 60.03 2rpa h GLU 58 Cb 0.47 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.91 2rpa h GLU 58 CO -0.35 0.49 0.47 0.82 -1.16 0.00 0.00 179.01 179.29 2rpa h ILE 59 N 0.76 1.14 -0.02 3.13 2.04 -0.80 -0.35 117.51 123.41 2rpa h ILE 59 Ca 0.29 -0.31 -0.15 0.00 1.00 0.00 0.00 64.86 65.69 2rpa h ILE 59 Cb 0.12 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 2rpa h ILE 59 CO -0.15 0.17 -0.67 -1.13 0.00 0.00 0.00 178.15 176.36 2rpa h ASN 60 N 0.91 0.13 0.03 1.72 -1.24 -0.72 -2.89 115.58 113.53 2rpa h ASN 60 Ca 0.28 -0.08 -0.00 0.00 0.71 0.00 0.00 56.30 57.20 2rpa h ASN 60 Cb -0.02 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.00 2rpa h ASN 60 CO -0.07 0.76 -0.02 0.58 -1.29 0.00 0.00 177.43 177.40 2rpa h VAL 61 N 0.08 1.35 -0.99 2.57 2.07 -0.20 -3.13 116.25 117.99 2rpa h VAL 61 Ca -0.01 -1.32 0.10 0.00 0.82 0.00 0.00 66.70 66.29 2rpa h VAL 61 Cb 1.20 2.21 -0.08 0.00 -1.52 0.00 0.00 31.29 33.10 2rpa h VAL 61 CO 0.10 0.33 0.62 1.05 0.02 0.00 0.00 177.57 179.69 2rpa h GLU 62 N -0.64 1.01 -0.20 1.57 4.11 -1.16 -0.00 114.58 119.27 2rpa h GLU 62 Ca -0.00 -0.06 0.02 0.00 0.07 0.00 0.00 59.36 59.38 2rpa h GLU 62 Cb 0.58 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2rpa h GLU 62 CO 0.01 0.67 0.14 0.00 0.07 0.00 0.00 179.01 179.89 2rpa h ALA 63 N 1.50 1.94 -0.52 1.06 0.00 -1.54 -1.98 119.26 119.73 2rpa h ALA 63 Ca 0.47 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.29 2rpa h ALA 63 Cb 0.37 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2rpa h ALA 63 CO -0.23 0.03 0.04 -0.22 0.00 0.00 0.00 179.25 178.87 2rpa h LYS 64 N 0.20 0.90 0.19 0.00 1.63 -0.93 -3.15 116.57 115.40 2rpa h LYS 64 Ca 0.08 -0.27 0.01 0.00 -0.85 0.00 0.00 60.65 59.63 2rpa h LYS 64 Cb 0.08 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.58 2rpa h LYS 64 CO -0.02 0.90 -0.35 1.96 -3.45 0.00 0.00 179.45 178.49 2rpa h GLN 65 N 0.77 -0.61 -1.15 1.90 1.08 -1.24 -1.32 115.11 114.54 2rpa h GLN 65 Ca 0.15 0.04 0.33 0.00 -1.45 0.00 0.00 58.65 57.72 2rpa h GLN 65 Cb 0.47 0.14 -0.09 0.00 -0.05 0.00 0.00 27.48 27.95 2rpa h GLN 65 CO 0.02 -0.41 0.76 0.28 -0.95 0.00 0.00 178.83 178.54 2rpa h VAL 66 N -0.63 0.40 -0.17 -0.54 2.07 -1.53 0.89 116.25 116.73 2rpa h VAL 66 Ca 0.01 -0.08 -0.08 0.00 0.82 0.00 0.00 66.70 67.37 2rpa h VAL 66 Cb 0.63 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2rpa h VAL 66 CO -0.16 0.04 -0.23 0.50 0.02 0.00 0.00 177.57 177.74 2rpa h LYS 67 N 0.24 0.31 0.16 1.57 3.11 -1.21 -1.84 116.57 118.90 2rpa h LYS 67 Ca 0.65 -0.10 -0.01 0.00 -2.81 0.00 0.00 60.65 58.38 2rpa h LYS 67 Cb 1.95 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 33.15 2rpa h LYS 67 CO -0.26 0.53 -0.08 0.22 -2.81 0.00 0.00 179.45 177.05 2rpa h ASP 68 N 0.28 -0.18 -1.00 4.20 1.82 0.10 -2.94 116.42 118.70 2rpa h ASP 68 Ca 0.05 -0.18 0.19 0.00 -0.39 0.00 0.00 57.03 56.70 2rpa h ASP 68 Cb 0.57 0.05 -0.11 0.00 0.68 0.00 0.00 39.33 40.52 2rpa h ASP 68 CO 0.04 0.36 0.61 0.16 -1.61 0.00 0.00 179.24 178.81 2rpa h ILE 69 N -1.01 0.70 0.00 2.25 3.07 -1.33 0.62 117.51 121.80 2rpa h ILE 69 Ca -0.02 -0.26 -0.01 0.00 1.55 0.00 0.00 64.86 66.12 2rpa h ILE 69 Cb 0.35 -0.12 -0.00 0.00 -0.27 0.00 0.00 36.82 36.78 2rpa h ILE 69 CO 0.04 0.14 -0.05 0.00 -1.05 0.00 0.00 178.15 177.22 2rpa h MET 70 N 0.75 0.00 -6.56 0.16 -0.00 -1.43 -3.43 114.93 104.43 2rpa h MET 70 Ca 0.58 0.00 -0.52 0.00 -0.00 0.00 0.00 59.70 59.76 2rpa h MET 70 Cb 0.92 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.49 2rpa h MET 70 CO -0.39 0.05 0.20 0.21 -0.00 0.00 0.00 176.91 176.99 2rpa s LYS 71 N -3.72 4.60 0.00 -0.10 2.47 0.22 -5.07 119.74 118.13 2rpa s LYS 71 Ca 0.00 1.19 0.00 0.00 -1.56 0.00 0.00 55.97 55.61 2rpa s LYS 71 Cb 0.10 -3.24 0.00 0.00 -1.46 0.00 0.00 37.83 33.22 2rpa s LYS 71 CO 0.56 0.56 0.41 0.25 0.16 0.00 0.00 175.35 177.28