#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 -0.65 0.10 6.43 1.11 -1.26 -5.13 116.67 117.27 2rpa s ASP -4 Ca 0.00 1.24 -0.27 0.00 0.18 0.00 0.00 52.55 53.71 2rpa s ASP -4 Cb 0.00 1.26 -0.15 0.00 1.07 0.00 0.00 42.92 45.10 2rpa s ASP -4 CO 0.00 -0.21 0.60 1.41 1.18 0.00 0.00 175.17 178.14 2rpa n HIS -3 N 2.56 -0.03 -0.06 4.23 8.25 -1.26 -4.90 115.22 124.02 2rpa n HIS -3 Ca -0.14 0.81 -0.10 0.00 -0.26 0.00 0.00 57.72 58.03 2rpa n HIS -3 Cb 0.55 -1.63 -0.05 0.00 1.12 0.00 0.00 29.99 29.98 2rpa n HIS -3 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2rpa n MET -2 N 0.97 0.29 -1.47 -0.41 0.00 -1.26 -4.98 117.12 110.26 2rpa n MET -2 Ca 0.15 0.09 -0.56 0.00 0.00 0.00 0.00 57.70 57.38 2rpa n MET -2 Cb 0.15 -1.15 -0.09 0.00 0.00 0.00 0.00 33.22 32.13 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 -3.11 0.15 -2.60 2.03 5.66 -1.26 -4.84 114.28 110.31 2rpa n THR -1 Ca -0.23 -0.12 -0.16 0.00 -3.05 0.00 0.00 64.05 60.50 2rpa n THR -1 Cb 0.71 -1.13 0.02 0.00 -1.55 0.00 0.00 70.33 68.38 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 7.02 1.98 -3.73 1.09 2.81 -1.26 -5.08 117.12 119.96 2rpa n MET 1 Ca 0.41 -3.72 -0.01 0.00 -1.81 0.00 0.00 57.70 52.57 2rpa n MET 1 Cb 0.11 -1.62 -0.00 0.00 -0.71 0.00 0.00 33.22 31.00 2rpa n MET 1 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2rpa s SER 2 N -3.27 -0.09 0.40 7.83 0.15 -1.26 -5.02 113.70 112.44 2rpa s SER 2 Ca 0.35 -0.30 0.21 0.00 0.70 0.00 0.00 55.95 56.91 2rpa s SER 2 Cb 0.44 0.32 0.32 0.00 -1.71 0.00 0.00 66.02 65.38 2rpa s SER 2 CO -0.05 -0.60 1.59 0.25 1.20 0.00 0.00 173.24 175.63 2rpa h LEU 3 N 2.00 0.00 0.69 3.45 7.12 -1.99 -3.34 115.31 123.23 2rpa h LEU 3 Ca -0.27 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 57.70 2rpa h LEU 3 Cb 1.21 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 41.35 2rpa h LEU 3 CO 0.28 0.13 -0.33 1.56 -0.13 0.00 0.00 178.44 179.96 2rpa h GLN 4 N 0.00 -0.89 0.00 1.25 7.50 -1.98 -1.07 115.11 119.91 2rpa h GLN 4 Ca -0.00 0.06 0.00 0.00 0.50 0.00 0.00 58.65 59.21 2rpa h GLN 4 Cb 1.08 0.20 0.00 0.00 0.05 0.00 0.00 27.48 28.81 2rpa h GLN 4 CO 0.02 -0.59 0.58 0.52 -1.50 0.00 0.00 178.83 177.85 2rpa h MET 5 N -1.24 0.00 0.00 1.46 2.86 -1.98 0.43 114.93 116.46 2rpa h MET 5 Ca -0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2rpa h MET 5 Cb 0.71 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.37 2rpa h MET 5 CO 0.16 0.00 -0.23 -0.89 1.06 0.00 0.00 176.91 177.00 2rpa n ILE 6 N -2.49 0.65 -0.32 -1.22 2.08 -1.06 -3.92 119.36 113.08 2rpa n ILE 6 Ca -0.01 0.37 0.02 0.00 0.56 0.00 0.00 62.75 63.70 2rpa n ILE 6 Cb 0.60 -1.91 0.16 0.00 -0.75 0.00 0.00 39.64 37.74 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 0.99 -0.84 1.39 -1.51 -0.47 -1.73 116.25 113.62 2rpa h VAL 7 Ca 0.00 -0.32 0.14 0.00 -1.23 0.00 0.00 66.70 65.29 2rpa h VAL 7 Cb 0.23 -0.03 -0.09 0.00 -2.13 0.00 0.00 31.29 29.27 2rpa h VAL 7 CO 0.00 0.17 0.44 -0.33 -1.23 0.00 0.00 177.57 176.62 2rpa h GLU 8 N 0.93 0.63 -0.72 5.19 5.08 -0.39 0.11 114.58 125.42 2rpa h GLU 8 Ca 0.40 -0.04 0.17 0.00 -1.00 0.00 0.00 59.36 58.89 2rpa h GLU 8 Cb 0.27 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 2rpa h GLU 8 CO -0.21 0.42 0.49 -0.91 -1.00 0.00 0.00 179.01 177.80 2rpa h ASN 9 N 0.65 0.23 -0.88 1.42 2.35 -1.43 -0.40 115.58 117.51 2rpa h ASN 9 Ca 0.45 0.01 0.08 0.00 -0.55 0.00 0.00 56.30 56.29 2rpa h ASN 9 Cb 0.60 -0.03 -0.07 0.00 0.05 0.00 0.00 38.32 38.88 2rpa h ASN 9 CO -0.34 0.11 0.54 0.58 -1.65 0.00 0.00 177.43 176.66 2rpa h VAL 10 N 0.24 1.00 -0.60 2.81 2.07 -0.80 -0.70 116.25 120.26 2rpa h VAL 10 Ca 0.35 -0.32 0.12 0.00 0.82 0.00 0.00 66.70 67.66 2rpa h VAL 10 Cb 1.03 -0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 2rpa h VAL 10 CO -0.08 0.17 0.41 0.11 0.02 0.00 0.00 177.57 178.21 2rpa h LYS 11 N 0.94 0.32 -0.28 1.57 1.79 -1.13 0.13 116.57 119.92 2rpa h LYS 11 Ca 0.40 -0.02 -0.12 0.00 -2.18 0.00 0.00 60.65 58.73 2rpa h LYS 11 Cb 0.25 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 30.83 2rpa h LYS 11 CO -0.20 0.21 -0.31 1.25 -1.08 0.00 0.00 179.45 179.33 2rpa h LEU 12 N 0.33 0.75 -0.82 2.94 7.12 -1.20 -2.77 115.31 121.66 2rpa h LEU 12 Ca 0.29 -0.48 -0.11 0.00 0.13 0.00 0.00 57.88 57.70 2rpa h LEU 12 Cb 0.67 -0.21 -0.02 0.00 -0.53 0.00 0.00 40.66 40.58 2rpa h LEU 12 CO -0.07 1.08 -0.54 0.00 -0.13 0.00 0.00 178.44 178.77 2rpa h ALA 13 N 0.69 1.00 -0.41 1.25 0.00 -1.00 -2.62 119.26 118.17 2rpa h ALA 13 Ca 0.04 -0.50 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 2rpa h ALA 13 Cb 0.88 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2rpa h ALA 13 CO 0.07 0.68 -0.18 0.00 0.00 0.00 0.00 179.25 179.83 2rpa h ARG 14 N 0.00 0.78 -0.07 0.00 2.47 -0.71 -2.33 114.38 114.52 2rpa h ARG 14 Ca -0.01 -0.29 -0.14 0.00 -1.26 0.00 0.00 59.98 58.28 2rpa h ARG 14 Cb 1.03 -0.05 0.01 0.00 -1.65 0.00 0.00 29.97 29.31 2rpa h ARG 14 CO 0.07 0.90 -0.50 1.49 0.56 0.00 0.00 179.97 182.50 2rpa h GLU 15 N 0.69 0.46 -0.89 0.04 4.81 -1.40 -3.24 114.58 115.05 2rpa h GLU 15 Ca 0.10 -0.40 0.06 0.00 -0.13 0.00 0.00 59.36 59.00 2rpa h GLU 15 Cb 0.68 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.09 2rpa h GLU 15 CO 0.05 1.04 0.58 1.88 -0.73 0.00 0.00 179.01 181.83 2rpa h TYR 16 N 0.01 1.03 -0.66 0.92 -1.99 -1.43 -1.01 116.97 113.83 2rpa h TYR 16 Ca -0.04 0.03 0.03 0.00 2.00 0.00 0.00 58.73 60.74 2rpa h TYR 16 Cb 1.16 -0.34 -0.04 0.00 2.00 0.00 0.00 36.73 39.52 2rpa h TYR 16 CO 0.13 0.54 0.44 0.00 -0.00 0.00 0.00 178.16 179.26 2rpa h ALA 17 N 1.51 1.61 0.10 3.88 0.00 -1.40 0.13 119.26 125.10 2rpa h ALA 17 Ca 0.38 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 2rpa h ALA 17 Cb 0.19 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2rpa h ALA 17 CO -0.14 0.33 -0.05 -0.07 0.00 0.00 0.00 179.25 179.32 2rpa h LEU 18 N 0.81 -0.12 -1.81 0.00 3.38 -1.25 -3.23 115.31 113.09 2rpa h LEU 18 Ca 0.26 -0.45 0.35 0.00 0.09 0.00 0.00 57.88 58.13 2rpa h LEU 18 Cb 0.04 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 2rpa h LEU 18 CO -0.07 0.50 0.86 -0.07 0.09 0.00 0.00 178.44 179.75 2rpa h LEU 19 N -0.86 0.12 0.00 1.67 3.38 -1.17 -3.44 115.31 115.01 2rpa h LEU 19 Ca -0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2rpa h LEU 19 Cb 0.56 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2rpa h LEU 19 CO 0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 2rpa n GLY 20 N -1.70 0.86 3.36 0.83 0.00 -0.90 -5.07 105.19 102.57 2rpa n GLY 20 Ca 0.28 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.84 7.13 -0.00 1.61 3.04 0.39 -4.82 114.94 121.45 2rpa s ASN 21 Ca 0.00 -3.24 -0.17 0.00 0.04 0.00 0.00 52.86 49.49 2rpa s ASN 21 Cb 0.00 -2.24 -0.34 0.00 -1.54 0.00 0.00 41.25 37.13 2rpa s ASN 21 CO 0.00 -0.45 0.92 1.88 -3.04 0.00 0.00 177.10 176.42 2rpa h TYR 22 N 7.09 0.83 -0.91 0.43 -1.99 -1.80 -3.18 116.97 117.43 2rpa h TYR 22 Ca 0.18 -0.60 0.15 0.00 2.00 0.00 0.00 58.73 60.45 2rpa h TYR 22 Cb 0.92 -0.03 -0.07 0.00 2.00 0.00 0.00 36.73 39.54 2rpa h TYR 22 CO 0.88 1.51 0.58 0.22 -0.00 0.00 0.00 178.16 181.36 2rpa h ASP 23 N -0.02 0.68 0.57 3.88 1.82 -1.94 0.15 116.42 121.55 2rpa h ASP 23 Ca -0.24 0.04 -0.11 0.00 -0.39 0.00 0.00 57.03 56.34 2rpa h ASP 23 Cb 2.01 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 41.91 2rpa h ASP 23 CO 0.23 0.34 -0.53 0.28 -1.61 0.00 0.00 179.24 177.94 2rpa h SER 24 N 0.71 0.00 0.26 2.28 0.02 -1.96 -3.02 113.55 111.84 2rpa h SER 24 Ca 0.46 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.23 2rpa h SER 24 Cb 0.73 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 2rpa h SER 24 CO -0.22 0.53 -0.72 0.00 -1.14 0.00 0.00 176.83 175.27 2rpa h ALA 25 N 1.47 0.61 -0.20 3.77 0.00 -0.78 -3.28 119.26 120.85 2rpa h ALA 25 Ca -0.01 -0.60 0.06 0.00 0.00 0.00 0.00 54.91 54.36 2rpa h ALA 25 Cb 0.95 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 2rpa h ALA 25 CO 0.07 0.76 -0.22 0.52 0.00 0.00 0.00 179.25 180.38 2rpa h MET 26 N 0.27 -0.23 -0.86 0.00 2.07 -1.13 0.06 114.93 115.11 2rpa h MET 26 Ca -0.03 0.02 0.18 0.00 -2.07 0.00 0.00 59.70 57.79 2rpa h MET 26 Cb 1.30 0.05 -0.06 0.00 -1.87 0.00 0.00 31.60 31.01 2rpa h MET 26 CO 0.12 -0.15 0.57 -0.39 1.07 0.00 0.00 176.91 178.13 2rpa h VAL 27 N -0.24 0.74 0.08 -2.22 -1.51 -1.63 -0.47 116.25 111.01 2rpa h VAL 27 Ca 0.12 -0.16 -0.00 0.00 -1.23 0.00 0.00 66.70 65.43 2rpa h VAL 27 Cb 0.43 0.23 0.00 0.00 -2.13 0.00 0.00 31.29 29.82 2rpa h VAL 27 CO -0.34 0.09 -0.04 1.88 -1.23 0.00 0.00 177.57 177.92 2rpa h TYR 28 N 0.47 -0.10 0.14 5.19 -1.99 -1.16 -2.66 116.97 116.86 2rpa h TYR 28 Ca 0.44 -0.00 0.02 0.00 2.00 0.00 0.00 58.73 61.19 2rpa h TYR 28 Cb 0.99 0.03 -0.03 0.00 2.00 0.00 0.00 36.73 39.72 2rpa h TYR 28 CO -0.00 0.39 -0.29 1.88 -0.00 0.00 0.00 178.16 180.14 2rpa h TYR 29 N -0.66 -0.79 -0.93 4.88 0.05 -0.29 0.03 116.97 119.27 2rpa h TYR 29 Ca -0.01 0.02 0.17 0.00 0.05 0.00 0.00 58.73 58.95 2rpa h TYR 29 Cb 0.54 0.33 -0.08 0.00 1.01 0.00 0.00 36.73 38.53 2rpa h TYR 29 CO 0.10 -0.40 0.60 0.37 -1.05 0.00 0.00 178.16 177.77 2rpa h GLN 30 N -0.52 0.65 -0.19 4.88 5.75 -1.21 -1.39 115.11 123.09 2rpa h GLN 30 Ca 0.03 -0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.42 2rpa h GLN 30 Cb 0.54 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 28.94 2rpa h GLN 30 CO -0.16 0.43 -0.14 0.78 -2.65 0.00 0.00 178.83 177.09 2rpa h GLY 31 N 0.67 0.46 0.82 2.39 0.00 -0.94 -1.62 103.07 104.86 2rpa h GLY 31 Ca 0.49 -0.45 0.02 0.00 0.00 0.00 0.00 47.33 47.40 2rpa h GLY 31 CO -0.25 0.40 0.12 -2.08 0.00 0.00 0.00 176.54 174.74 2rpa h VAL 32 N 0.10 0.96 -0.07 4.60 2.07 -0.04 0.47 116.25 124.34 2rpa h VAL 32 Ca 0.04 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 2rpa h VAL 32 Cb 0.65 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2rpa h VAL 32 CO 0.04 0.05 0.03 -0.07 0.02 0.00 0.00 177.57 177.63 2rpa h LEU 33 N 0.26 0.10 -0.44 2.57 3.38 -1.32 0.42 115.31 120.28 2rpa h LEU 33 Ca 0.12 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 57.97 2rpa h LEU 33 Cb 0.06 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 2rpa h LEU 33 CO -0.10 0.24 0.16 0.44 0.09 0.00 0.00 178.44 179.27 2rpa h ASP 34 N -0.05 0.19 0.08 -0.43 5.19 -1.08 -1.26 116.42 119.06 2rpa h ASP 34 Ca 0.02 0.05 -0.15 0.00 -0.62 0.00 0.00 57.03 56.33 2rpa h ASP 34 Cb 0.17 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.70 2rpa h ASP 34 CO -0.00 0.14 -0.53 1.56 -3.12 0.00 0.00 179.24 177.29 2rpa h GLN 35 N 0.34 0.49 -0.10 3.56 1.08 -0.79 -3.14 115.11 116.54 2rpa h GLN 35 Ca 0.20 -0.30 0.02 0.00 -1.45 0.00 0.00 58.65 57.12 2rpa h GLN 35 Cb 0.18 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 2rpa h GLN 35 CO -0.20 0.90 -0.02 0.52 -0.95 0.00 0.00 178.83 179.08 2rpa h MET 36 N 0.38 0.01 -0.26 1.46 2.86 0.53 -2.60 114.93 117.31 2rpa h MET 36 Ca 0.01 -0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.70 2rpa h MET 36 Cb 1.05 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.65 2rpa h MET 36 CO 0.10 0.01 -0.09 -0.91 1.06 0.00 0.00 176.91 177.07 2rpa h ASN 37 N 0.01 -0.32 -0.84 1.22 2.35 -1.26 -0.22 115.58 116.53 2rpa h ASN 37 Ca 0.05 0.09 0.22 0.00 -0.55 0.00 0.00 56.30 56.10 2rpa h ASN 37 Cb 0.07 0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.58 2rpa h ASN 37 CO -0.10 -0.12 0.58 0.11 -1.65 0.00 0.00 177.43 176.25 2rpa h LYS 38 N -0.04 0.18 -0.00 0.81 1.57 -1.45 0.74 116.57 118.37 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 0.24 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2rpa h LYS 38 CO -0.29 0.12 -0.01 -0.92 -0.57 0.00 0.00 179.45 177.79 2rpa h TYR 39 N 0.19 0.01 -0.99 -1.35 5.03 -0.70 -3.16 116.97 116.01 2rpa h TYR 39 Ca 0.42 -0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.73 2rpa h TYR 39 Cb 1.34 -0.00 -0.05 0.00 1.55 0.00 0.00 36.73 39.57 2rpa h TYR 39 CO -0.00 0.66 0.65 -0.07 -1.32 0.00 0.00 178.16 178.07 2rpa h LEU 40 N -0.64 1.15 -1.45 2.82 3.38 -0.36 -0.51 115.31 119.69 2rpa h LEU 40 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2rpa h LEU 40 Cb 0.66 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2rpa h LEU 40 CO 0.00 0.84 0.00 0.22 0.09 0.00 0.00 178.44 179.59 2rpa h TYR 41 N 1.35 0.00 -0.59 1.13 5.03 -0.96 0.67 116.97 123.60 2rpa h TYR 41 Ca 0.36 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.67 2rpa h TYR 41 Cb -0.14 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.14 2rpa h TYR 41 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 178.16 177.29 2rpa n SER 42 N -2.40 3.76 -4.84 -2.11 2.88 -0.21 -4.95 113.62 105.76 2rpa n SER 42 Ca -0.01 -2.00 -0.35 0.00 -1.33 0.00 0.00 58.87 55.18 2rpa n SER 42 Cb 0.10 -0.39 -0.06 0.00 -0.75 0.00 0.00 64.21 63.11 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 -1.21 4.74 -0.10 2.46 1.01 0.23 -4.99 120.40 122.54 2rpa s VAL 43 Ca 0.45 0.98 0.14 0.00 0.00 0.00 0.00 61.98 63.55 2rpa s VAL 43 Cb 0.24 -3.76 -0.21 0.00 0.00 0.00 0.00 36.38 32.66 2rpa s VAL 43 CO 0.33 0.17 0.16 0.29 0.00 0.00 0.00 175.10 176.05 2rpa n LYS 44 N 0.61 1.19 -3.04 2.72 4.01 -1.26 -4.86 118.16 117.53 2rpa n LYS 44 Ca -0.03 -0.06 -0.44 0.00 -0.51 0.00 0.00 58.31 57.27 2rpa n LYS 44 Cb 0.52 -1.38 -0.05 0.00 -0.51 0.00 0.00 35.03 33.61 2rpa n LYS 44 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2rpa s ASP 45 N -4.50 6.21 0.52 4.39 1.01 -1.26 -4.90 116.67 118.13 2rpa s ASP 45 Ca -0.07 -1.09 0.31 0.00 0.71 0.00 0.00 52.55 52.41 2rpa s ASP 45 Cb 0.06 -2.34 1.44 0.00 1.01 0.00 0.00 42.92 43.10 2rpa s ASP 45 CO 0.63 -1.14 1.85 0.74 0.21 0.00 0.00 175.17 177.47 2rpa h THR 46 N 5.93 0.52 -0.33 -1.27 2.02 -1.99 0.39 112.91 118.18 2rpa h THR 46 Ca -0.28 -0.02 -0.12 0.00 0.77 0.00 0.00 66.41 66.75 2rpa h THR 46 Cb 1.08 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 2rpa h THR 46 CO 1.08 0.01 -0.29 -0.74 0.37 0.00 0.00 175.52 175.95 2rpa h HIS 47 N 0.06 0.81 0.09 3.16 6.17 -1.98 0.14 115.15 123.60 2rpa h HIS 47 Ca 0.48 -0.20 -0.00 0.00 0.71 0.00 0.00 60.37 61.35 2rpa h HIS 47 Cb 1.80 -0.19 0.00 0.00 2.52 0.00 0.00 27.41 31.55 2rpa h HIS 47 CO -0.00 0.91 -0.04 1.25 0.71 0.00 0.00 177.93 180.76 2rpa h LEU 48 N 0.60 -0.11 -1.10 0.26 6.46 -0.66 -3.17 115.31 117.60 2rpa h LEU 48 Ca 0.07 -0.47 -0.06 0.00 -0.12 0.00 0.00 57.88 57.31 2rpa h LEU 48 Cb 0.80 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.74 2rpa h LEU 48 CO 0.07 0.47 0.02 0.08 -0.62 0.00 0.00 178.44 178.45 2rpa h ARG 49 N -0.75 0.65 -0.48 1.25 0.11 -1.36 -2.37 114.38 111.44 2rpa h ARG 49 Ca -0.01 -0.15 0.10 0.00 0.10 0.00 0.00 59.98 60.02 2rpa h ARG 49 Cb 0.57 -0.09 -0.03 0.00 1.11 0.00 0.00 29.97 31.53 2rpa h ARG 49 CO 0.02 0.66 0.33 1.96 0.10 0.00 0.00 179.97 183.04 2rpa h GLN 50 N 0.62 0.21 -0.17 0.08 1.08 -0.78 -0.56 115.11 115.59 2rpa h GLN 50 Ca 0.13 -0.01 -0.11 0.00 -1.45 0.00 0.00 58.65 57.21 2rpa h GLN 50 Cb 0.36 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 2rpa h GLN 50 CO 0.01 0.14 -0.31 -0.22 -0.95 0.00 0.00 178.83 177.49 2rpa h LYS 51 N 0.21 0.51 -0.26 1.46 3.64 -1.39 -3.14 116.57 117.60 2rpa h LYS 51 Ca 0.22 -0.32 -0.07 0.00 -1.27 0.00 0.00 60.65 59.21 2rpa h LYS 51 Cb 0.61 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 2rpa h LYS 51 CO -0.04 0.93 -0.16 -1.49 -2.27 0.00 0.00 179.45 176.42 2rpa h TRP 52 N 0.15 0.49 -0.73 1.91 4.06 -1.26 -2.65 115.95 117.92 2rpa h TRP 52 Ca 0.01 -0.08 0.03 0.00 2.06 0.00 0.00 58.89 60.91 2rpa h TRP 52 Cb 0.90 -0.13 -0.04 0.00 -1.00 0.00 0.00 29.16 28.89 2rpa h TRP 52 CO 0.09 0.60 0.48 1.96 -3.56 0.00 0.00 178.44 178.01 2rpa h GLN 53 N 0.42 0.89 0.28 0.49 1.08 -1.11 0.26 115.11 117.42 2rpa h GLN 53 Ca 0.07 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 2rpa h GLN 53 Cb 0.52 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 2rpa h GLN 53 CO 0.03 0.59 -0.13 0.37 -0.95 0.00 0.00 178.83 178.74 2rpa h GLN 54 N 0.92 -0.36 -0.66 1.46 4.15 -1.43 -3.19 115.11 115.99 2rpa h GLN 54 Ca 0.29 0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.75 2rpa h GLN 54 Cb 0.01 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 2rpa h GLN 54 CO -0.08 -0.02 0.43 -0.24 -1.93 0.00 0.00 178.83 177.00 2rpa h VAL 55 N -0.89 1.13 -0.75 2.39 3.04 -1.35 -1.65 116.25 118.16 2rpa h VAL 55 Ca -0.04 -0.28 0.15 0.00 -1.01 0.00 0.00 66.70 65.52 2rpa h VAL 55 Cb 0.51 0.22 -0.05 0.00 -2.01 0.00 0.00 31.29 29.97 2rpa h VAL 55 CO 0.06 0.15 0.50 -0.25 -1.01 0.00 0.00 177.57 177.03 2rpa h TRP 56 N 0.83 0.46 -0.52 3.17 7.01 -0.51 -0.72 115.95 125.66 2rpa h TRP 56 Ca 0.25 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.24 2rpa h TRP 56 Cb -0.01 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 26.89 2rpa h TRP 56 CO -0.00 0.18 0.22 1.96 -2.79 0.00 0.00 178.44 178.01 2rpa h GLN 57 N 0.39 0.77 -0.27 2.65 4.20 -1.28 -1.58 115.11 120.00 2rpa h GLN 57 Ca 0.37 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.91 2rpa h GLN 57 Cb 0.86 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 2rpa h GLN 57 CO -0.11 0.67 0.02 0.93 -0.67 0.00 0.00 178.83 179.66 2rpa h GLU 58 N 0.70 0.39 -0.22 1.46 5.08 -1.20 -0.10 114.58 120.69 2rpa h GLU 58 Ca 0.18 -0.07 -0.19 0.00 -1.00 0.00 0.00 59.36 58.28 2rpa h GLU 58 Cb 0.17 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2rpa h GLU 58 CO -0.02 0.41 -0.62 0.82 -1.00 0.00 0.00 179.01 178.61 2rpa h ILE 59 N 0.39 1.29 -0.07 3.13 2.04 -1.07 -1.63 117.51 121.59 2rpa h ILE 59 Ca 0.09 -1.83 -0.04 0.00 1.00 0.00 0.00 64.86 64.07 2rpa h ILE 59 Cb 0.23 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 2rpa h ILE 59 CO 0.00 0.58 -0.13 -1.13 0.00 0.00 0.00 178.15 177.48 2rpa h ASN 60 N 0.56 0.23 -0.06 1.72 -1.24 -0.87 -2.96 115.58 112.97 2rpa h ASN 60 Ca -0.01 -0.56 -0.04 0.00 0.71 0.00 0.00 56.30 56.40 2rpa h ASN 60 Cb 1.22 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 40.19 2rpa h ASN 60 CO 0.13 0.74 -0.06 1.62 -1.29 0.00 0.00 177.43 178.57 2rpa h VAL 61 N -0.27 1.16 -0.14 2.57 3.04 -1.09 -2.86 116.25 118.65 2rpa h VAL 61 Ca 0.00 -0.68 -0.01 0.00 -1.01 0.00 0.00 66.70 65.01 2rpa h VAL 61 Cb 0.70 1.09 -0.01 0.00 -2.01 0.00 0.00 31.29 31.07 2rpa h VAL 61 CO 0.03 0.22 0.07 -0.08 -1.01 0.00 0.00 177.57 176.80 2rpa h GLU 62 N 0.29 0.21 -0.74 4.17 4.57 -1.27 -2.53 114.58 119.27 2rpa h GLU 62 Ca 0.06 -0.03 0.16 0.00 -1.18 0.00 0.00 59.36 58.37 2rpa h GLU 62 Cb 0.30 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.81 2rpa h GLU 62 CO 0.01 0.27 0.50 0.00 -1.18 0.00 0.00 179.01 178.61 2rpa h ALA 63 N 0.93 2.21 -0.39 2.92 0.00 -1.33 -0.91 119.26 122.69 2rpa h ALA 63 Ca 0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2rpa h ALA 63 Cb 0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2rpa h ALA 63 CO -0.01 -0.41 0.12 -0.22 0.00 0.00 0.00 179.25 178.74 2rpa h LYS 64 N 0.34 0.60 -0.24 0.00 3.11 -1.41 -3.06 116.57 115.91 2rpa h LYS 64 Ca 0.36 -0.13 0.05 0.00 -2.81 0.00 0.00 60.65 58.13 2rpa h LYS 64 Cb 0.93 -0.09 -0.05 0.00 -1.00 0.00 0.00 32.23 32.03 2rpa h LYS 64 CO -0.10 0.61 -0.10 1.96 -2.81 0.00 0.00 179.45 179.01 2rpa h GLN 65 N 0.48 -0.06 -0.96 1.90 4.20 -1.02 -0.94 115.11 118.71 2rpa h GLN 65 Ca 0.13 0.00 0.23 0.00 0.06 0.00 0.00 58.65 59.07 2rpa h GLN 65 Cb 0.25 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 27.97 2rpa h GLN 65 CO -0.00 -0.04 0.64 0.28 -0.67 0.00 0.00 178.83 179.03 2rpa h VAL 66 N -0.06 0.61 -0.24 -0.54 2.07 -1.43 0.40 116.25 117.07 2rpa h VAL 66 Ca 0.12 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 2rpa h VAL 66 Cb 0.25 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 2rpa h VAL 66 CO -0.28 0.07 -0.05 0.50 0.02 0.00 0.00 177.57 177.83 2rpa h LYS 67 N 0.37 0.36 0.01 1.57 3.64 -1.09 -0.65 116.57 120.79 2rpa h LYS 67 Ca 0.51 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.82 2rpa h LYS 67 Cb 1.35 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2rpa h LYS 67 CO -0.20 0.43 -0.01 0.22 -2.27 0.00 0.00 179.45 177.63 2rpa h ASP 68 N 0.35 -0.01 -0.52 4.20 1.82 -0.12 -3.31 116.42 118.83 2rpa h ASP 68 Ca 0.08 -0.76 0.08 0.00 -0.39 0.00 0.00 57.03 56.03 2rpa h ASP 68 Cb 0.32 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.30 2rpa h ASP 68 CO 0.01 0.84 0.35 0.16 -1.61 0.00 0.00 179.24 178.99 2rpa h ILE 69 N -0.96 0.93 -4.14 2.25 3.07 -1.18 -3.42 117.51 114.06 2rpa h ILE 69 Ca -0.00 -0.13 -0.47 0.00 1.55 0.00 0.00 64.86 65.81 2rpa h ILE 69 Cb 0.77 0.52 0.02 0.00 -0.27 0.00 0.00 36.82 37.86 2rpa h ILE 69 CO 0.00 0.07 0.37 0.00 -1.05 0.00 0.00 178.15 177.54 2rpa s MET 70 N -5.36 3.84 0.37 0.16 0.23 -0.26 -5.05 119.30 113.22 2rpa s MET 70 Ca -0.07 1.12 -0.10 0.00 -1.03 0.00 0.00 55.69 55.61 2rpa s MET 70 Cb 0.19 -2.11 -0.07 0.00 -1.53 0.00 0.00 34.83 31.31 2rpa s MET 70 CO 0.74 -0.37 0.72 0.21 -2.03 0.00 0.00 175.02 174.28 2rpa s LYS 71 N -3.73 3.78 0.00 3.16 2.47 -1.26 -4.91 119.74 119.25 2rpa s LYS 71 Ca 0.62 0.40 0.31 0.00 -1.56 0.00 0.00 55.97 55.74 2rpa s LYS 71 Cb -0.12 -2.45 1.84 0.00 -1.46 0.00 0.00 37.83 35.63 2rpa s LYS 71 CO 0.27 0.05 2.17 0.25 0.16 0.00 0.00 175.35 178.24