#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f05 s SER 2 N 0.00 1.02 0.09 4.31 0.15 -1.26 -5.14 113.70 112.87 2f05 s SER 2 Ca 0.00 -1.53 -0.19 0.00 0.70 0.00 0.00 55.95 54.93 2f05 s SER 2 Cb 0.00 0.62 -0.07 0.00 -1.71 0.00 0.00 66.02 64.86 2f05 s SER 2 CO 0.00 -1.21 0.58 1.51 1.20 0.00 0.00 173.24 175.32 2f05 s ASP 3 N -3.26 7.04 -0.98 5.45 -4.77 -1.26 -5.01 116.67 113.89 2f05 s ASP 3 Ca 0.33 1.25 -0.15 0.00 -3.30 0.00 0.00 52.55 50.68 2f05 s ASP 3 Cb 0.01 -2.36 0.18 0.00 -1.09 0.00 0.00 42.92 39.66 2f05 s ASP 3 CO 0.21 0.24 1.08 -0.44 0.70 0.00 0.00 175.17 176.96 2f05 s SER 4 N -1.22 6.85 0.05 2.11 0.01 -1.26 -4.86 113.70 115.37 2f05 s SER 4 Ca 0.31 -2.62 -0.22 0.00 1.31 0.00 0.00 55.95 54.73 2f05 s SER 4 Cb -0.19 -2.32 -0.14 0.00 0.21 0.00 0.00 66.02 63.58 2f05 s SER 4 CO 0.19 -0.76 1.45 0.58 0.41 0.00 0.00 173.24 175.12 2f05 h VAL 5 N 5.02 1.27 -0.31 3.43 2.07 -1.99 -1.29 116.25 124.45 2f05 h VAL 5 Ca 0.18 -0.88 -0.07 0.00 0.82 0.00 0.00 66.70 66.74 2f05 h VAL 5 Cb 0.98 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 2f05 h VAL 5 CO 1.02 0.25 -0.13 -0.33 0.02 0.00 0.00 177.57 178.40 2f05 h GLU 6 N -0.08 0.52 -0.61 1.57 5.08 -2.00 -1.92 114.58 117.14 2f05 h GLU 6 Ca 0.03 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.18 2f05 h GLU 6 Cb 0.40 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2f05 h GLU 6 CO 0.01 0.65 0.18 0.35 -1.00 0.00 0.00 179.01 179.19 2f05 h PHE 7 N 0.48 1.00 -0.90 4.33 3.57 -1.93 0.27 116.94 123.76 2f05 h PHE 7 Ca 0.09 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2f05 h PHE 7 Cb 0.51 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 2f05 h PHE 7 CO 0.02 0.83 0.54 -0.91 -2.23 0.00 0.00 178.31 176.56 2f05 h ASN 8 N 0.88 1.09 -0.21 0.41 2.35 -0.53 0.44 115.58 120.01 2f05 h ASN 8 Ca 0.20 -0.07 -0.07 0.00 -0.55 0.00 0.00 56.30 55.80 2f05 h ASN 8 Cb 0.31 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 2f05 h ASN 8 CO -0.00 0.84 -0.09 0.78 -1.65 0.00 0.00 177.43 177.30 2f05 h ASN 9 N 1.24 0.56 0.71 5.81 2.35 -0.80 -1.13 115.58 124.32 2f05 h ASN 9 Ca 0.32 -0.14 -0.11 0.00 -0.55 0.00 0.00 56.30 55.82 2f05 h ASN 9 Cb -0.05 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 2f05 h ASN 9 CO -0.06 0.70 -0.53 0.00 -1.65 0.00 0.00 177.43 175.88 2f05 h ALA 10 N 1.36 0.98 -0.28 -0.83 0.00 0.21 -1.58 119.26 119.13 2f05 h ALA 10 Ca 0.10 -0.49 -0.16 0.00 0.00 0.00 0.00 54.91 54.37 2f05 h ALA 10 Cb 0.49 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2f05 h ALA 10 CO 0.03 0.67 -0.45 0.82 0.00 0.00 0.00 179.25 180.31 2f05 h ILE 11 N 0.00 1.29 -0.92 0.00 1.08 0.77 0.13 117.51 119.86 2f05 h ILE 11 Ca -0.01 -1.64 0.01 0.00 -0.39 0.00 0.00 64.86 62.83 2f05 h ILE 11 Cb 1.03 1.66 -0.05 0.00 -3.07 0.00 0.00 36.82 36.40 2f05 h ILE 11 CO 0.07 0.53 0.60 0.28 -0.69 0.00 0.00 178.15 178.94 2f05 h SER 12 N 0.55 1.06 -0.54 1.72 0.02 -1.08 0.38 113.55 115.66 2f05 h SER 12 Ca 0.02 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2f05 h SER 12 Cb 1.05 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.30 2f05 h SER 12 CO 0.10 0.77 0.35 0.22 -1.14 0.00 0.00 176.83 177.14 2f05 h TYR 13 N 1.24 0.68 -0.34 3.45 3.20 -0.89 -1.06 116.97 123.25 2f05 h TYR 13 Ca 0.34 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.17 2f05 h TYR 13 Cb -0.14 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 37.89 2f05 h TYR 13 CO 0.00 0.43 0.02 0.28 -1.64 0.00 0.00 178.16 177.25 2f05 h VAL 14 N 0.73 1.25 -0.60 1.81 2.07 0.32 -2.53 116.25 119.30 2f05 h VAL 14 Ca 0.20 -0.93 0.05 0.00 0.82 0.00 0.00 66.70 66.84 2f05 h VAL 14 Cb -0.08 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 2f05 h VAL 14 CO -0.04 0.31 0.40 -1.13 0.02 0.00 0.00 177.57 177.12 2f05 h ASN 15 N 0.41 0.54 0.18 0.57 -1.24 -0.05 0.11 115.58 116.11 2f05 h ASN 15 Ca 0.10 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.11 2f05 h ASN 15 Cb 0.42 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.34 2f05 h ASN 15 CO 0.01 0.35 -0.19 0.11 -1.29 0.00 0.00 177.43 176.43 2f05 h LYS 16 N 0.61 -0.40 -0.44 6.67 1.57 -0.90 -2.05 116.57 121.64 2f05 h LYS 16 Ca 0.25 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 59.12 2f05 h LYS 16 Cb 0.23 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.57 2f05 h LYS 16 CO -0.07 -0.26 0.13 0.82 -0.57 0.00 0.00 179.45 179.49 2f05 h ILE 17 N -0.41 0.82 -0.41 1.86 2.04 -0.75 0.32 117.51 120.99 2f05 h ILE 17 Ca 0.00 -0.10 0.08 0.00 1.00 0.00 0.00 64.86 65.85 2f05 h ILE 17 Cb 0.39 0.52 -0.08 0.00 -0.74 0.00 0.00 36.82 36.91 2f05 h ILE 17 CO -0.05 0.05 -0.14 0.11 0.00 0.00 0.00 178.15 178.12 2f05 h LYS 18 N 0.28 -0.05 -0.10 2.37 1.57 -0.64 0.00 116.57 120.00 2f05 h LYS 18 Ca 0.21 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.86 2f05 h LYS 18 Cb 0.23 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.55 2f05 h LYS 18 CO -0.24 -0.03 -0.46 1.15 -0.57 0.00 0.00 179.45 179.30 2f05 h THR 19 N -0.05 1.38 0.00 -0.16 2.02 -0.73 -1.53 112.91 113.83 2f05 h THR 19 Ca 0.20 -1.80 -0.05 0.00 0.77 0.00 0.00 66.41 65.53 2f05 h THR 19 Cb 0.36 2.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.98 2f05 h THR 19 CO -0.45 0.54 -0.25 0.03 0.37 0.00 0.00 175.52 175.76 2f05 h ARG 20 N 0.06 0.00 -0.37 6.66 2.47 -0.01 -2.46 114.38 120.72 2f05 h ARG 20 Ca -0.03 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 58.41 2f05 h ARG 20 Cb 1.10 0.00 -0.28 0.00 -1.65 0.00 0.00 29.97 29.14 2f05 h ARG 20 CO 0.10 0.25 -0.78 1.19 0.56 0.00 0.00 179.97 181.28 2f05 n PHE 21 N -3.58 1.33 0.22 3.04 3.72 -0.05 -4.81 117.46 117.34 2f05 n PHE 21 Ca -0.01 -1.78 0.06 0.00 -0.05 0.00 0.00 57.45 55.67 2f05 n PHE 21 Cb 0.39 -0.27 0.52 0.00 -0.94 0.00 0.00 39.48 39.17 2f05 n PHE 21 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2f05 h LEU 22 N 1.72 0.00 -0.01 4.37 6.46 -0.77 0.10 115.31 127.18 2f05 h LEU 22 Ca 0.11 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 2f05 h LEU 22 Cb 1.36 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.29 2f05 h LEU 22 CO 0.35 0.20 -0.29 0.47 -0.62 0.00 0.00 178.44 178.56 2f05 n ASP 23 N -4.17 0.30 -3.88 1.25 8.00 -1.26 -4.58 116.55 112.21 2f05 n ASP 23 Ca -0.02 0.05 -0.29 0.00 0.71 0.00 0.00 54.79 55.23 2f05 n ASP 23 Cb 0.27 -0.06 -0.13 0.00 -0.02 0.00 0.00 41.12 41.18 2f05 n ASP 23 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2f05 s HIS 24 N -2.99 3.04 0.43 1.24 3.76 0.02 -4.92 115.29 115.88 2f05 s HIS 24 Ca 0.13 -3.09 0.17 0.00 -0.15 0.00 0.00 55.06 52.12 2f05 s HIS 24 Cb 0.18 -2.57 1.06 0.00 1.11 0.00 0.00 32.58 32.37 2f05 s HIS 24 CO 0.62 -0.69 1.98 -1.35 -0.85 0.00 0.00 174.74 174.46 2f05 h PRO 25 N 6.14 0.00 -0.78 8.40 0.11 -1.81 -2.53 132.00 141.52 2f05 h PRO 25 Ca 0.02 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.11 2f05 h PRO 25 Cb 0.85 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.92 2f05 h PRO 25 CO 0.66 0.20 0.42 1.05 -0.21 0.00 0.00 178.00 180.11 2f05 h GLU 26 N 0.00 1.09 -0.35 1.05 4.11 -1.91 -0.69 114.58 117.89 2f05 h GLU 26 Ca -0.00 -0.13 -0.17 0.00 0.07 0.00 0.00 59.36 59.13 2f05 h GLU 26 Cb 0.38 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2f05 h GLU 26 CO 0.03 0.81 -0.45 0.82 0.07 0.00 0.00 179.01 180.29 2f05 h ILE 27 N 1.10 1.27 0.35 -1.06 2.04 -1.79 0.27 117.51 119.69 2f05 h ILE 27 Ca 0.28 -1.62 -0.02 0.00 1.00 0.00 0.00 64.86 64.49 2f05 h ILE 27 Cb 0.05 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 2f05 h ILE 27 CO -0.04 0.54 -0.17 0.22 0.00 0.00 0.00 178.15 178.70 2f05 h TYR 28 N 0.73 -0.44 -0.07 1.37 3.20 -1.42 -2.64 116.97 117.70 2f05 h TYR 28 Ca 0.04 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.93 2f05 h TYR 28 Cb 1.05 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 39.43 2f05 h TYR 28 CO 0.07 -0.19 -0.12 -0.09 -1.64 0.00 0.00 178.16 176.18 2f05 h ARG 29 N -0.60 -0.17 -0.49 1.82 2.43 -0.96 -0.95 114.38 115.45 2f05 h ARG 29 Ca -0.05 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.17 2f05 h ARG 29 Cb 0.44 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 2f05 h ARG 29 CO 0.08 -0.11 0.33 0.77 -1.51 0.00 0.00 179.97 179.52 2f05 h SER 30 N -0.18 0.45 -0.03 -3.80 0.02 -0.45 -0.49 113.55 109.07 2f05 h SER 30 Ca 0.07 -0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.76 2f05 h SER 30 Cb 0.27 -0.10 0.02 0.00 0.14 0.00 0.00 62.40 62.73 2f05 h SER 30 CO -0.17 0.30 -0.97 0.15 -1.14 0.00 0.00 176.83 175.00 2f05 h PHE 31 N 0.52 1.04 -1.00 3.45 3.57 -1.11 -3.32 116.94 120.08 2f05 h PHE 31 Ca 0.20 -0.54 0.14 0.00 3.53 0.00 0.00 57.97 61.30 2f05 h PHE 31 Cb 0.17 -0.13 -0.09 0.00 2.79 0.00 0.00 35.95 38.69 2f05 h PHE 31 CO -0.00 1.38 0.63 -0.07 -2.23 0.00 0.00 178.31 178.02 2f05 h LEU 32 N 0.40 0.90 -1.51 0.59 3.38 0.29 0.29 115.31 119.65 2f05 h LEU 32 Ca -0.11 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 2f05 h LEU 32 Cb 1.62 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 2f05 h LEU 32 CO 0.19 0.44 -0.19 1.05 0.09 0.00 0.00 178.44 180.03 2f05 h GLU 33 N 0.94 0.08 -0.05 1.13 4.11 -1.50 -0.51 114.58 118.78 2f05 h GLU 33 Ca 0.51 -0.02 -0.03 0.00 0.07 0.00 0.00 59.36 59.89 2f05 h GLU 33 Cb 0.58 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2f05 h GLU 33 CO -0.29 0.27 -0.11 0.82 0.07 0.00 0.00 179.01 179.78 2f05 h ILE 34 N 0.08 1.43 -0.16 -1.06 2.04 -1.07 -0.35 117.51 118.43 2f05 h ILE 34 Ca 0.01 -1.44 -0.15 0.00 1.00 0.00 0.00 64.86 64.28 2f05 h ILE 34 Cb 0.38 2.27 -0.01 0.00 -0.74 0.00 0.00 36.82 38.72 2f05 h ILE 34 CO 0.03 0.39 -0.55 0.25 0.00 0.00 0.00 178.15 178.27 2f05 h LEU 35 N -0.36 0.51 -0.19 1.44 7.12 -1.20 0.40 115.31 123.03 2f05 h LEU 35 Ca 0.00 -0.27 -0.07 0.00 0.13 0.00 0.00 57.88 57.67 2f05 h LEU 35 Cb 0.69 -0.15 -0.00 0.00 -0.53 0.00 0.00 40.66 40.67 2f05 h LEU 35 CO 0.02 0.96 -0.15 -0.74 -0.13 0.00 0.00 178.44 178.41 2f05 h HIS 36 N 0.36 0.51 0.00 1.25 2.76 -1.10 -2.07 115.15 116.86 2f05 h HIS 36 Ca 0.01 -0.14 -0.07 0.00 -2.20 0.00 0.00 60.37 57.96 2f05 h HIS 36 Cb 1.07 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.91 2f05 h HIS 36 CO 0.04 0.77 -0.35 0.00 -1.30 0.00 0.00 177.93 177.09 2f05 h THR 37 N 0.10 1.21 0.29 6.26 1.03 -0.96 -2.43 112.91 118.41 2f05 h THR 37 Ca 0.04 -1.21 -0.01 0.00 -0.01 0.00 0.00 66.41 65.21 2f05 h THR 37 Cb 0.67 1.66 0.00 0.00 -1.07 0.00 0.00 68.15 69.41 2f05 h THR 37 CO 0.04 0.34 -0.14 0.22 -0.01 0.00 0.00 175.52 175.97 2f05 h TYR 38 N 0.00 -0.36 -0.11 0.00 3.20 -0.64 -0.16 116.97 118.91 2f05 h TYR 38 Ca -0.00 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 2f05 h TYR 38 Cb 0.63 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 2f05 h TYR 38 CO 0.00 -0.12 -0.25 1.96 -1.64 0.00 0.00 178.16 178.11 2f05 h GLN 39 N -0.54 0.18 0.03 1.82 4.20 -1.11 -0.42 115.11 119.28 2f05 h GLN 39 Ca -0.04 -0.06 -0.24 0.00 0.06 0.00 0.00 58.65 58.38 2f05 h GLN 39 Cb 0.40 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2f05 h GLN 39 CO 0.06 0.42 -1.01 0.87 -0.67 0.00 0.00 178.83 178.51 2f05 h LYS 40 N 0.17 0.40 0.00 1.46 6.56 -1.33 -3.19 116.57 120.65 2f05 h LYS 40 Ca 0.03 -0.47 -0.12 0.00 -1.06 0.00 0.00 60.65 59.02 2f05 h LYS 40 Cb 0.53 0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 32.32 2f05 h LYS 40 CO 0.04 1.14 -0.58 0.93 -2.06 0.00 0.00 179.45 178.92 2f05 h GLU 41 N 0.21 0.00 0.02 3.15 3.07 -0.53 -3.31 114.58 117.19 2f05 h GLU 41 Ca -0.10 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.56 2f05 h GLU 41 Cb 1.66 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.56 2f05 h GLU 41 CO 0.17 0.58 -0.93 1.96 -1.40 0.00 0.00 179.01 179.39 2f05 h GLN 42 N 0.00 0.20 -3.59 2.33 1.08 -1.17 -3.37 115.11 110.59 2f05 h GLN 42 Ca -0.01 -0.24 -0.71 0.00 -1.45 0.00 0.00 58.65 56.24 2f05 h GLN 42 Cb 1.43 0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 28.88 2f05 h GLN 42 CO 0.08 1.00 3.07 1.28 -0.95 0.00 0.00 178.83 183.30 2f05 n LEU 43 N -3.63 7.35 -3.67 1.46 7.99 -1.20 -4.40 117.00 120.91 2f05 n LEU 43 Ca -0.04 -4.33 -0.08 0.00 -0.01 0.00 0.00 56.01 51.55 2f05 n LEU 43 Cb 0.84 -1.59 -0.09 0.00 -0.11 0.00 0.00 43.42 42.48 2f05 n LEU 43 CO 0.49 1.44 0.20 -1.00 -1.51 0.00 0.00 177.39 177.00 2f05 s HIS 44 N 2.19 -0.86 -0.23 -1.77 3.76 -1.26 -5.02 115.29 112.10 2f05 s HIS 44 Ca 0.51 1.74 -0.04 0.00 -0.15 0.00 0.00 55.06 57.12 2f05 s HIS 44 Cb 0.14 0.47 0.01 0.00 1.11 0.00 0.00 32.58 34.31 2f05 s HIS 44 CO -0.07 -0.45 0.15 2.41 -0.85 0.00 0.00 174.74 175.93 2f05 n THR 45 N 4.42 -8.34 -2.06 1.30 -1.04 -1.26 -3.22 114.28 104.07 2f05 n THR 45 Ca -0.20 0.97 -0.38 0.00 -2.04 0.00 0.00 64.05 62.40 2f05 n THR 45 Cb 0.56 -6.01 0.01 0.00 -1.82 0.00 0.00 70.33 63.07 2f05 n THR 45 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2f05 s LYS 46 N -1.44 3.57 0.00 -2.82 2.20 -1.26 -3.41 119.74 116.58 2f05 s LYS 46 Ca 0.06 1.99 0.00 0.00 -0.36 0.00 0.00 55.97 57.67 2f05 s LYS 46 Cb -0.02 -2.41 0.00 0.00 -1.51 0.00 0.00 37.83 33.90 2f05 s LYS 46 CO 0.51 -0.77 0.00 0.41 -0.36 0.00 0.00 175.35 175.14 2f05 n GLY 47 N 0.58 2.25 3.23 5.54 0.00 -1.26 -4.90 105.19 110.63 2f05 n GLY 47 Ca 0.08 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 2f05 n GLY 47 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2f05 s ARG 48 N 0.00 0.33 -0.01 1.61 6.06 -1.24 -5.13 118.95 120.58 2f05 s ARG 48 Ca 0.00 0.85 -0.37 0.00 -2.50 0.00 0.00 55.73 53.70 2f05 s ARG 48 Cb 0.00 0.08 -0.16 0.00 0.06 0.00 0.00 34.95 34.93 2f05 s ARG 48 CO 0.00 -0.20 1.47 -2.30 -2.50 0.00 0.00 175.30 171.77 2f05 n PRO 49 N 4.73 1.22 -3.61 5.12 -0.02 -1.22 -4.86 135.00 136.36 2f05 n PRO 49 Ca -0.17 0.44 -0.39 0.00 -2.02 0.00 0.00 63.50 61.36 2f05 n PRO 49 Cb 0.53 -2.11 -0.11 0.00 -0.02 0.00 0.00 33.50 31.79 2f05 n PRO 49 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2f05 s PHE 50 N 1.40 3.20 -0.35 6.00 5.36 -1.20 -4.77 117.98 127.62 2f05 s PHE 50 Ca 0.88 -0.50 -0.06 0.00 -0.96 0.00 0.00 56.93 56.29 2f05 s PHE 50 Cb -0.97 -2.40 0.01 0.00 -0.34 0.00 0.00 43.02 39.32 2f05 s PHE 50 CO 0.51 -0.45 0.23 0.54 -1.46 0.00 0.00 175.22 174.60 2f05 n ARG 51 N 5.02 -3.04 -2.85 10.12 5.12 -1.26 -4.90 116.66 124.87 2f05 n ARG 51 Ca -0.13 2.52 -0.07 0.00 -1.93 0.00 0.00 57.85 58.23 2f05 n ARG 51 Cb 0.49 -5.46 -0.00 0.00 -1.16 0.00 0.00 32.46 26.32 2f05 n ARG 51 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2f05 n GLY 52 N 0.30 2.07 3.57 -0.13 0.00 -1.26 -5.02 105.19 104.72 2f05 n GLY 52 Ca 0.05 -1.37 -0.40 0.00 0.00 0.00 0.00 46.02 44.30 2f05 n GLY 52 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2f05 s MET 53 N -2.31 2.79 0.57 1.61 1.75 -1.26 -4.91 119.30 117.54 2f05 s MET 53 Ca 0.14 1.09 -0.15 0.00 -1.25 0.00 0.00 55.69 55.52 2f05 s MET 53 Cb -0.02 -4.36 -0.06 0.00 2.84 0.00 0.00 34.83 33.24 2f05 s MET 53 CO 0.10 -2.51 1.02 -1.54 -0.65 0.00 0.00 175.02 171.44 2f05 s SER 54 N 8.16 6.27 0.26 1.11 1.04 -1.26 -4.76 113.70 124.52 2f05 s SER 54 Ca 0.78 1.60 -0.07 0.00 0.48 0.00 0.00 55.95 58.75 2f05 s SER 54 Cb -0.18 -2.51 0.47 0.00 0.10 0.00 0.00 66.02 63.91 2f05 s SER 54 CO 0.27 -0.83 1.61 -0.08 0.98 0.00 0.00 173.24 175.18 2f05 h GLU 55 N 0.45 0.05 -0.31 4.02 4.81 -1.98 0.18 114.58 121.80 2f05 h GLU 55 Ca -0.46 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.66 2f05 h GLU 55 Cb 1.20 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 2f05 h GLU 55 CO 0.60 0.03 -0.21 1.49 -0.73 0.00 0.00 179.01 180.19 2f05 h GLU 56 N 0.05 0.68 0.00 1.92 4.81 -1.98 0.27 114.58 120.33 2f05 h GLU 56 Ca 0.44 -0.33 -0.10 0.00 -0.13 0.00 0.00 59.36 59.24 2f05 h GLU 56 Cb 0.78 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 2f05 h GLU 56 CO -0.78 0.93 -0.50 1.05 -0.73 0.00 0.00 179.01 178.99 2f05 h GLU 57 N 0.44 0.00 0.29 1.92 4.11 -1.57 -0.64 114.58 119.12 2f05 h GLU 57 Ca 0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.48 2f05 h GLU 57 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2f05 h GLU 57 CO 0.06 0.50 -0.14 0.28 0.07 0.00 0.00 179.01 179.78 2f05 h VAL 58 N 0.00 0.74 -0.28 -1.06 2.07 -0.44 -3.15 116.25 114.13 2f05 h VAL 58 Ca -0.00 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2f05 h VAL 58 Cb 0.97 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 2f05 h VAL 58 CO 0.06 0.11 0.18 0.15 0.02 0.00 0.00 177.57 178.09 2f05 h PHE 59 N -0.70 0.36 -0.16 1.57 3.57 -0.16 -2.00 116.94 119.41 2f05 h PHE 59 Ca -0.04 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.51 2f05 h PHE 59 Cb 0.48 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 2f05 h PHE 59 CO 0.02 0.24 -0.09 1.15 -2.23 0.00 0.00 178.31 177.40 2f05 h THR 60 N 0.39 0.72 -0.01 4.41 2.02 -1.08 0.43 112.91 119.77 2f05 h THR 60 Ca 0.10 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.15 2f05 h THR 60 Cb -0.03 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 2f05 h THR 60 CO -0.02 0.00 -0.62 -0.33 0.37 0.00 0.00 175.52 174.92 2f05 h GLU 61 N -0.08 0.05 -0.16 6.66 4.39 -1.35 0.67 114.58 124.76 2f05 h GLU 61 Ca 0.09 -0.04 -0.15 0.00 0.34 0.00 0.00 59.36 59.61 2f05 h GLU 61 Cb 0.22 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2f05 h GLU 61 CO -0.22 0.66 -0.47 0.28 -1.16 0.00 0.00 179.01 178.10 2f05 h VAL 62 N 0.04 1.34 -0.22 3.13 2.07 -1.01 0.13 116.25 121.73 2f05 h VAL 62 Ca -0.01 -1.73 -0.08 0.00 0.82 0.00 0.00 66.70 65.70 2f05 h VAL 62 Cb 1.11 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.87 2f05 h VAL 62 CO 0.08 0.53 -0.23 0.00 0.02 0.00 0.00 177.57 177.98 2f05 h ALA 63 N 0.55 1.21 -0.05 1.67 0.00 0.05 0.13 119.26 122.81 2f05 h ALA 63 Ca -0.01 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.44 2f05 h ALA 63 Cb 1.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2f05 h ALA 63 CO 0.10 0.51 -0.62 -0.97 0.00 0.00 0.00 179.25 178.27 2f05 h ASN 64 N 0.36 0.22 0.31 0.00 -1.24 -0.80 -1.94 115.58 112.48 2f05 h ASN 64 Ca 0.06 -0.13 -0.02 0.00 0.71 0.00 0.00 56.30 56.92 2f05 h ASN 64 Cb 0.60 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.59 2f05 h ASN 64 CO 0.04 0.78 -0.15 0.25 -1.29 0.00 0.00 177.43 177.07 2f05 h LEU 65 N 0.14 -0.36 -4.14 0.34 7.12 0.09 -3.31 115.31 115.19 2f05 h LEU 65 Ca -0.01 -0.18 -0.68 0.00 0.13 0.00 0.00 57.88 57.14 2f05 h LEU 65 Cb 1.13 0.09 -0.28 0.00 -0.53 0.00 0.00 40.66 41.07 2f05 h LEU 65 CO 0.09 0.09 0.89 0.49 -0.13 0.00 0.00 178.44 179.87 2f05 n PHE 66 N -5.08 3.12 -1.59 1.25 3.72 -0.04 -4.96 117.46 113.87 2f05 n PHE 66 Ca -0.08 -2.88 -0.43 0.00 -0.05 0.00 0.00 57.45 54.01 2f05 n PHE 66 Cb 0.26 -1.40 -0.03 0.00 -0.94 0.00 0.00 39.48 37.37 2f05 n PHE 66 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2f05 n ARG 67 N -0.79 1.83 0.00 -1.08 1.74 -0.73 -0.87 116.66 116.75 2f05 n ARG 67 Ca 0.60 0.47 0.00 0.00 -0.77 0.00 0.00 57.85 58.15 2f05 n ARG 67 Cb 0.59 -3.24 0.00 0.00 -1.02 0.00 0.00 32.46 28.79 2f05 n ARG 67 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2f05 n GLY 68 N 5.83 2.39 3.32 -0.13 0.00 -1.26 -5.01 105.19 110.33 2f05 n GLY 68 Ca 0.31 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 2f05 n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2f05 n GLN 69 N 0.00 3.22 0.24 1.61 1.13 -0.05 -4.75 117.38 118.77 2f05 n GLN 69 Ca 0.00 -3.32 0.09 0.00 -1.94 0.00 0.00 57.00 51.82 2f05 n GLN 69 Cb 0.00 -3.29 0.59 0.00 0.11 0.00 0.00 30.24 27.65 2f05 n GLN 69 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2f05 h GLU 70 N 6.98 0.00 0.14 -1.09 5.08 -1.95 -2.26 114.58 121.47 2f05 h GLU 70 Ca 0.43 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.81 2f05 h GLU 70 Cb 0.80 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 2f05 h GLU 70 CO 1.50 0.19 -0.22 -0.44 -1.00 0.00 0.00 179.01 179.04 2f05 h ASP 71 N 0.00 -0.61 -0.70 1.42 3.32 -1.96 0.14 116.42 118.03 2f05 h ASP 71 Ca -0.00 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 2f05 h ASP 71 Cb 0.40 0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 2f05 h ASP 71 CO 0.02 -0.31 0.28 -0.07 -1.72 0.00 0.00 179.24 177.45 2f05 h LEU 72 N -0.43 0.99 -0.62 1.55 3.38 -1.85 -0.29 115.31 118.04 2f05 h LEU 72 Ca 0.02 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.70 2f05 h LEU 72 Cb 0.44 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2f05 h LEU 72 CO -0.11 0.88 -0.45 -0.07 0.09 0.00 0.00 178.44 178.79 2f05 h LEU 73 N 1.05 0.62 -0.13 1.67 3.38 -1.05 0.16 115.31 121.01 2f05 h LEU 73 Ca 0.24 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 2f05 h LEU 73 Cb 0.21 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2f05 h LEU 73 CO -0.02 0.98 -0.20 0.28 0.09 0.00 0.00 178.44 179.56 2f05 h SER 74 N 0.46 0.41 -0.56 -0.43 0.02 -0.32 -1.57 113.55 111.56 2f05 h SER 74 Ca 0.03 -0.53 -0.03 0.00 -0.84 0.00 0.00 61.79 60.43 2f05 h SER 74 Cb 0.96 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.36 2f05 h SER 74 CO 0.09 0.86 0.23 -0.33 -1.14 0.00 0.00 176.83 176.54 2f05 h GLU 75 N -0.03 0.82 -0.71 3.45 5.08 -0.83 -1.57 114.58 120.79 2f05 h GLU 75 Ca 0.01 -0.14 0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2f05 h GLU 75 Cb 0.77 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 2f05 h GLU 75 CO 0.05 0.70 0.44 0.35 -1.00 0.00 0.00 179.01 179.55 2f05 h PHE 76 N 0.76 0.83 -0.23 4.33 3.57 -0.67 0.05 116.94 125.57 2f05 h PHE 76 Ca 0.19 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 2f05 h PHE 76 Cb 0.18 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 2f05 h PHE 76 CO 0.00 0.46 0.07 0.78 -2.23 0.00 0.00 178.31 177.39 2f05 h GLY 77 N 0.85 0.34 1.19 2.40 0.00 -0.74 -1.59 103.07 105.52 2f05 h GLY 77 Ca 0.29 -0.15 -0.21 0.00 0.00 0.00 0.00 47.33 47.27 2f05 h GLY 77 CO -0.12 0.15 -0.67 1.46 0.00 0.00 0.00 176.54 177.35 2f05 h GLN 78 N 0.32 0.82 0.00 4.80 4.20 -0.19 -3.25 115.11 121.81 2f05 h GLN 78 Ca 0.08 -0.60 0.00 0.00 0.06 0.00 0.00 58.65 58.19 2f05 h GLN 78 Cb 0.11 0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.99 2f05 h GLN 78 CO -0.01 1.22 0.00 0.74 -0.67 0.00 0.00 178.83 180.11 2f05 h PHE 79 N 0.59 0.00 -3.87 2.96 0.04 -0.12 -3.44 116.94 113.09 2f05 h PHE 79 Ca -0.02 0.00 -0.47 0.00 2.80 0.00 0.00 57.97 60.28 2f05 h PHE 79 Cb 1.29 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.42 2f05 h PHE 79 CO 0.08 0.00 0.29 -0.51 -0.60 0.00 0.00 178.31 177.57 2f05 s LEU 80 N -6.12 4.22 -0.38 1.54 1.02 -0.78 -4.97 118.68 113.21 2f05 s LEU 80 Ca 0.01 1.70 -0.27 0.00 0.02 0.00 0.00 54.13 55.59 2f05 s LEU 80 Cb 0.09 -4.09 -0.05 0.00 0.02 0.00 0.00 46.19 42.16 2f05 s LEU 80 CO 0.52 -0.14 2.17 -2.16 0.02 0.00 0.00 176.35 176.77 2f05 s PRO 81 N -2.40 2.74 -1.46 1.29 0.04 -1.26 -2.85 135.00 131.11 2f05 s PRO 81 Ca 0.52 1.55 -0.08 0.00 0.04 0.00 0.00 61.00 63.03 2f05 s PRO 81 Cb -0.15 -4.42 0.03 0.00 0.04 0.00 0.00 34.50 30.00 2f05 s PRO 81 CO 0.20 -2.55 0.82 0.39 0.04 0.00 0.00 177.00 175.90 2f05 n GLU 82 N 8.84 -5.63 0.21 4.56 4.71 -1.26 -4.87 120.64 127.20 2f05 n GLU 82 Ca 0.30 0.77 0.15 0.00 -0.01 0.00 0.00 57.16 58.37 2f05 n GLU 82 Cb 0.50 -5.67 0.71 0.00 -1.01 0.00 0.00 31.44 25.96 2f05 n GLU 82 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2f05 h ALA 83 N 1.00 1.00 0.00 0.62 0.00 -1.75 0.57 119.26 120.70 2f05 h ALA 83 Ca -0.54 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2f05 h ALA 83 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2f05 h ALA 83 CO 0.58 0.00 -0.18 0.87 0.00 0.00 0.00 179.25 180.52 2f05 h LYS 84 N 0.00 0.00 0.00 0.00 1.57 -1.88 -3.51 116.57 112.75 2f05 h LYS 84 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2f05 h LYS 84 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2f05 h LYS 84 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.42