#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 -0.37 0.33 4.31 0.01 -1.26 -5.13 113.70 111.58 2f05 s SER 2 Ca 0.00 0.69 0.00 0.00 1.31 0.00 0.00 55.95 57.95 2f05 s SER 2 Cb 0.00 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.81 2f05 s SER 2 CO 0.00 -0.17 0.00 0.47 0.41 0.00 0.00 173.24 173.95 2f05 n ASP 3 N 4.13 -7.07 -1.86 2.44 8.00 -1.26 -4.51 116.55 116.43 2f05 n ASP 3 Ca -0.23 0.63 -0.20 0.00 0.71 0.00 0.00 54.79 55.69 2f05 n ASP 3 Cb 0.54 -3.69 0.14 0.00 -0.02 0.00 0.00 41.12 38.10 2f05 n ASP 3 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2f05 n SER 4 N -3.80 4.44 -0.03 -2.24 7.64 -1.26 -4.63 113.62 113.75 2f05 n SER 4 Ca -0.01 -3.74 -0.13 0.00 1.01 0.00 0.00 58.87 56.00 2f05 n SER 4 Cb 0.55 -0.73 -0.10 0.00 -1.01 0.00 0.00 64.21 62.92 2f05 n SER 4 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2f05 h VAL 5 N 1.17 1.42 -0.13 0.44 2.07 -1.99 -0.96 116.25 118.27 2f05 h VAL 5 Ca 0.45 -1.32 -0.11 0.00 0.82 0.00 0.00 66.70 66.54 2f05 h VAL 5 Cb 1.75 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 33.73 2f05 h VAL 5 CO 0.93 0.36 -0.40 -0.33 0.02 0.00 0.00 177.57 178.14 2f05 h GLU 6 N -0.41 0.28 -0.22 1.57 4.39 -1.88 -0.14 114.58 118.17 2f05 h GLU 6 Ca 0.00 -0.13 -0.17 0.00 0.34 0.00 0.00 59.36 59.40 2f05 h GLU 6 Cb 0.60 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.25 2f05 h GLU 6 CO 0.01 0.64 -0.57 0.35 -1.16 0.00 0.00 179.01 178.29 2f05 h PHE 7 N 0.24 0.86 -0.26 4.33 3.57 -1.88 -1.95 116.94 121.84 2f05 h PHE 7 Ca 0.02 -0.31 -0.09 0.00 3.53 0.00 0.00 57.97 61.12 2f05 h PHE 7 Cb 0.81 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 2f05 h PHE 7 CO 0.02 1.09 -0.23 -0.97 -2.23 0.00 0.00 178.31 175.98 2f05 h ASN 8 N 0.52 0.48 -0.42 0.41 -1.24 -0.05 0.32 115.58 115.60 2f05 h ASN 8 Ca 0.01 -0.16 -0.00 0.00 0.71 0.00 0.00 56.30 56.86 2f05 h ASN 8 Cb 1.14 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 40.04 2f05 h ASN 8 CO 0.11 0.72 0.26 0.78 -1.29 0.00 0.00 177.43 178.01 2f05 h ASN 9 N 0.43 0.50 -0.32 1.15 2.35 -0.86 0.17 115.58 119.00 2f05 h ASN 9 Ca 0.07 -0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.78 2f05 h ASN 9 Cb 0.64 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.86 2f05 h ASN 9 CO 0.05 0.40 0.19 0.00 -1.65 0.00 0.00 177.43 176.42 2f05 h ALA 10 N 1.12 0.40 -0.66 -0.83 0.00 -0.55 -2.49 119.26 116.26 2f05 h ALA 10 Ca 0.15 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2f05 h ALA 10 Cb -0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2f05 h ALA 10 CO -0.03 -0.17 0.18 0.82 0.00 0.00 0.00 179.25 180.05 2f05 h ILE 11 N 0.39 1.25 -0.93 0.00 1.08 0.11 0.12 117.51 119.53 2f05 h ILE 11 Ca 0.13 -0.90 0.04 0.00 -0.39 0.00 0.00 64.86 63.74 2f05 h ILE 11 Cb -0.00 0.55 -0.06 0.00 -3.07 0.00 0.00 36.82 34.24 2f05 h ILE 11 CO -0.06 0.34 0.61 0.28 -0.69 0.00 0.00 178.15 178.63 2f05 h SER 12 N 0.99 0.99 0.53 1.72 0.02 -0.39 0.40 113.55 117.81 2f05 h SER 12 Ca 0.21 -0.01 -0.20 0.00 -0.84 0.00 0.00 61.79 60.95 2f05 h SER 12 Cb 0.32 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 2f05 h SER 12 CO -0.00 0.67 -0.89 1.88 -1.14 0.00 0.00 176.83 177.35 2f05 h TYR 13 N 1.15 0.36 -0.27 3.45 -1.99 -0.90 -1.77 116.97 117.00 2f05 h TYR 13 Ca 0.38 -0.20 -0.04 0.00 2.00 0.00 0.00 58.73 60.87 2f05 h TYR 13 Cb 0.05 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 38.73 2f05 h TYR 13 CO -0.00 1.01 0.02 0.28 -0.00 0.00 0.00 178.16 179.47 2f05 h VAL 14 N 0.13 1.25 -0.81 -2.88 2.07 0.41 0.60 116.25 117.01 2f05 h VAL 14 Ca -0.05 -0.86 0.04 0.00 0.82 0.00 0.00 66.70 66.65 2f05 h VAL 14 Cb 1.52 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 32.52 2f05 h VAL 14 CO 0.14 0.28 0.53 -1.13 0.02 0.00 0.00 177.57 177.41 2f05 h ASN 15 N 0.26 0.84 -0.57 0.57 -0.73 -0.27 0.18 115.58 115.87 2f05 h ASN 15 Ca 0.08 -0.01 -0.08 0.00 1.87 0.00 0.00 56.30 58.16 2f05 h ASN 15 Cb 0.38 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 38.76 2f05 h ASN 15 CO 0.01 0.57 0.02 0.50 -0.37 0.00 0.00 177.43 178.16 2f05 h LYS 16 N 0.97 0.98 0.16 6.67 3.64 -0.87 -0.86 116.57 127.26 2f05 h LYS 16 Ca 0.33 -0.30 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2f05 h LYS 16 Cb 0.09 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2f05 h LYS 16 CO -0.10 0.97 -0.11 0.82 -2.27 0.00 0.00 179.45 178.76 2f05 h ILE 17 N 0.87 0.75 -0.77 2.00 2.04 0.40 0.28 117.51 123.09 2f05 h ILE 17 Ca 0.16 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.20 2f05 h ILE 17 Cb 0.51 0.75 -0.11 0.00 -0.74 0.00 0.00 36.82 37.23 2f05 h ILE 17 CO 0.02 0.00 0.21 0.11 0.00 0.00 0.00 178.15 178.50 2f05 h LYS 18 N -0.27 0.28 -0.05 2.37 1.57 -0.44 0.38 116.57 120.42 2f05 h LYS 18 Ca -0.01 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 2f05 h LYS 18 Cb 0.24 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2f05 h LYS 18 CO -0.00 0.18 -0.25 1.15 -0.57 0.00 0.00 179.45 179.96 2f05 h THR 19 N 0.29 1.46 0.00 -0.16 2.02 -0.86 -1.37 112.91 114.29 2f05 h THR 19 Ca 0.44 -1.72 -0.05 0.00 0.77 0.00 0.00 66.41 65.86 2f05 h THR 19 Cb 0.78 2.44 -0.01 0.00 -1.74 0.00 0.00 68.15 69.62 2f05 h THR 19 CO -0.52 0.48 -0.22 0.03 0.37 0.00 0.00 175.52 175.66 2f05 h ARG 20 N -0.30 0.00 -0.36 6.66 2.47 0.27 -2.19 114.38 120.94 2f05 h ARG 20 Ca -0.02 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.43 2f05 h ARG 20 Cb 0.91 0.00 -0.24 0.00 -1.65 0.00 0.00 29.97 29.00 2f05 h ARG 20 CO 0.05 0.22 -0.71 1.19 0.56 0.00 0.00 179.97 181.28 2f05 n PHE 21 N -3.44 1.29 -0.05 3.04 3.01 0.06 -4.76 117.46 116.61 2f05 n PHE 21 Ca -0.00 -1.80 -0.04 0.00 1.01 0.00 0.00 57.45 56.61 2f05 n PHE 21 Cb 0.40 -0.28 0.17 0.00 -0.01 0.00 0.00 39.48 39.76 2f05 n PHE 21 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 2f05 h LEU 22 N 1.62 0.64 -0.16 4.37 6.46 -0.57 -1.92 115.31 125.75 2f05 h LEU 22 Ca 0.14 -0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 2f05 h LEU 22 Cb 1.31 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 41.06 2f05 h LEU 22 CO 0.35 0.80 -0.21 -0.67 -0.62 0.00 0.00 178.44 178.10 2f05 n ASP 23 N -4.17 0.46 -3.40 1.25 2.03 -1.26 -4.25 116.55 107.21 2f05 n ASP 23 Ca 0.01 -0.33 -0.26 0.00 0.52 0.00 0.00 54.79 54.73 2f05 n ASP 23 Cb 0.36 -0.04 -0.09 0.00 -0.72 0.00 0.00 41.12 40.63 2f05 n ASP 23 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2f05 n HIS 24 N -1.16 1.35 0.32 -0.67 8.25 -0.73 -4.95 115.22 117.63 2f05 n HIS 24 Ca 0.10 -3.82 0.21 0.00 -0.26 0.00 0.00 57.72 53.96 2f05 n HIS 24 Cb 0.31 -0.35 1.08 0.00 1.12 0.00 0.00 29.99 32.15 2f05 n HIS 24 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2f05 h PRO 25 N 4.53 0.00 -0.27 -0.41 0.11 -1.73 -2.45 132.00 131.79 2f05 h PRO 25 Ca 0.16 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.17 2f05 h PRO 25 Cb 0.80 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.89 2f05 h PRO 25 CO 0.60 0.00 -0.24 1.05 -0.21 0.00 0.00 178.00 179.20 2f05 h GLU 26 N 0.00 0.51 -0.25 1.05 4.11 -1.92 -2.81 114.58 115.26 2f05 h GLU 26 Ca 0.00 -0.19 -0.05 0.00 0.07 0.00 0.00 59.36 59.19 2f05 h GLU 26 Cb 0.11 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2f05 h GLU 26 CO 0.00 0.71 -0.07 0.82 0.07 0.00 0.00 179.01 180.54 2f05 h ILE 27 N 0.45 1.19 -0.49 -1.06 2.04 -1.77 0.94 117.51 118.80 2f05 h ILE 27 Ca 0.07 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 2f05 h ILE 27 Cb 0.66 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 2f05 h ILE 27 CO 0.05 0.26 0.28 0.22 0.00 0.00 0.00 178.15 178.97 2f05 h TYR 28 N 0.37 0.66 -0.18 1.37 3.20 -1.63 -1.03 116.97 119.73 2f05 h TYR 28 Ca 0.08 -0.01 -0.18 0.00 3.14 0.00 0.00 58.73 61.76 2f05 h TYR 28 Cb 0.37 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.42 2f05 h TYR 28 CO 0.01 0.48 -0.61 0.00 -1.64 0.00 0.00 178.16 176.40 2f05 h ARG 29 N 0.66 0.61 -0.07 1.82 -0.00 -1.05 -0.74 114.38 115.60 2f05 h ARG 29 Ca 0.18 -0.42 -0.03 0.00 -0.50 0.00 0.00 59.98 59.20 2f05 h ARG 29 Cb 0.02 0.06 -0.01 0.00 0.00 0.00 0.00 29.97 30.04 2f05 h ARG 29 CO -0.03 1.04 -0.10 0.77 0.00 0.00 0.00 179.97 181.64 2f05 h SER 30 N 0.46 0.10 -0.01 7.04 0.02 -0.59 -1.54 113.55 119.03 2f05 h SER 30 Ca -0.01 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.89 2f05 h SER 30 Cb 1.18 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2f05 h SER 30 CO 0.12 0.22 -0.14 0.15 -1.14 0.00 0.00 176.83 176.04 2f05 h PHE 31 N 0.11 0.16 -0.98 3.45 3.57 -0.86 -3.31 116.94 119.07 2f05 h PHE 31 Ca 0.02 -0.08 0.17 0.00 3.53 0.00 0.00 57.97 61.61 2f05 h PHE 31 Cb 0.25 -0.02 -0.09 0.00 2.79 0.00 0.00 35.95 38.88 2f05 h PHE 31 CO 0.00 0.84 0.61 -0.07 -2.23 0.00 0.00 178.31 177.47 2f05 h LEU 32 N -0.57 0.77 -1.49 0.59 3.38 -0.57 0.17 115.31 117.58 2f05 h LEU 32 Ca -0.02 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 2f05 h LEU 32 Cb 0.88 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2f05 h LEU 32 CO 0.03 0.33 -0.06 1.05 0.09 0.00 0.00 178.44 179.87 2f05 h GLU 33 N 0.78 0.25 -0.06 1.13 4.11 -1.41 0.12 114.58 119.50 2f05 h GLU 33 Ca 0.53 -0.05 -0.13 0.00 0.07 0.00 0.00 59.36 59.78 2f05 h GLU 33 Cb 0.80 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.02 2f05 h GLU 33 CO -0.30 0.33 -0.48 0.82 0.07 0.00 0.00 179.01 179.45 2f05 h ILE 34 N 0.24 1.40 -0.52 -1.06 2.04 -0.79 -0.75 117.51 118.08 2f05 h ILE 34 Ca 0.05 -1.88 -0.08 0.00 1.00 0.00 0.00 64.86 63.95 2f05 h ILE 34 Cb 0.28 2.36 -0.02 0.00 -0.74 0.00 0.00 36.82 38.70 2f05 h ILE 34 CO 0.01 0.55 -0.00 0.25 0.00 0.00 0.00 178.15 178.96 2f05 h LEU 35 N -0.03 0.90 -0.47 1.44 7.12 -0.75 0.42 115.31 123.94 2f05 h LEU 35 Ca -0.04 -0.31 -0.01 0.00 0.13 0.00 0.00 57.88 57.65 2f05 h LEU 35 Cb 1.15 -0.24 -0.02 0.00 -0.53 0.00 0.00 40.66 41.01 2f05 h LEU 35 CO 0.10 0.99 0.25 0.45 -0.13 0.00 0.00 178.44 180.10 2f05 h HIS 36 N 0.78 0.65 -0.79 1.25 3.86 -0.81 0.47 115.15 120.56 2f05 h HIS 36 Ca 0.15 -0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.39 2f05 h HIS 36 Cb 0.53 -0.21 -0.05 0.00 1.06 0.00 0.00 27.41 28.74 2f05 h HIS 36 CO 0.04 0.49 0.52 1.15 0.86 0.00 0.00 177.93 180.99 2f05 h THR 37 N 0.62 1.08 -0.36 2.45 2.02 -0.67 0.10 112.91 118.15 2f05 h THR 37 Ca 0.16 -0.31 -0.14 0.00 0.77 0.00 0.00 66.41 66.89 2f05 h THR 37 Cb 0.06 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.55 2f05 h THR 37 CO -0.03 0.17 -0.34 0.22 0.37 0.00 0.00 175.52 175.91 2f05 h TYR 38 N 0.91 1.03 -0.46 3.16 3.20 0.73 0.20 116.97 125.74 2f05 h TYR 38 Ca 0.33 -0.31 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 2f05 h TYR 38 Cb 0.15 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 2f05 h TYR 38 CO -0.00 1.11 0.07 1.96 -1.64 0.00 0.00 178.16 179.65 2f05 h GLN 39 N 0.66 0.71 0.00 1.82 1.08 -0.29 -2.02 115.11 117.06 2f05 h GLN 39 Ca 0.06 -0.15 -0.06 0.00 -1.45 0.00 0.00 58.65 57.04 2f05 h GLN 39 Cb 0.93 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.24 2f05 h GLN 39 CO 0.09 0.68 -0.30 -0.22 -0.95 0.00 0.00 178.83 178.12 2f05 h LYS 40 N 0.68 0.00 -0.58 1.46 3.11 0.01 0.25 116.57 121.49 2f05 h LYS 40 Ca 0.15 0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 57.89 2f05 h LYS 40 Cb 0.32 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.53 2f05 h LYS 40 CO 0.00 0.30 -0.01 1.49 -2.81 0.00 0.00 179.45 178.43 2f05 h GLU 41 N 0.00 1.03 -0.68 1.90 4.22 -0.23 -1.13 114.58 119.69 2f05 h GLU 41 Ca -0.00 -0.33 0.00 0.00 0.08 0.00 0.00 59.36 59.11 2f05 h GLU 41 Cb 0.55 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2f05 h GLU 41 CO 0.04 1.01 0.00 0.00 -2.18 0.00 0.00 179.01 177.88 2f05 n GLN 42 N -4.18 3.32 -3.39 1.92 10.64 -0.82 -4.94 117.38 119.93 2f05 n GLN 42 Ca 0.03 -2.03 -0.14 0.00 -1.83 0.00 0.00 57.00 53.03 2f05 n GLN 42 Cb 0.35 -1.89 0.01 0.00 -0.86 0.00 0.00 30.24 27.85 2f05 n GLN 42 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 2f05 n LEU 43 N 0.52 -4.64 -3.70 2.61 -0.00 -0.06 -5.04 117.00 106.70 2f05 n LEU 43 Ca 0.18 -0.54 -0.14 0.00 -0.00 0.00 0.00 56.01 55.51 2f05 n LEU 43 Cb 0.79 -2.67 -0.08 0.00 -0.00 0.00 0.00 43.42 41.46 2f05 n LEU 43 CO 0.20 -0.33 0.13 -1.00 -0.00 0.00 0.00 177.39 176.38 2f05 s HIS 44 N -3.11 -0.29 0.33 1.96 3.76 0.67 -4.93 115.29 113.68 2f05 s HIS 44 Ca 0.12 0.42 0.00 0.00 -0.15 0.00 0.00 55.06 55.45 2f05 s HIS 44 Cb -0.04 0.18 0.00 0.00 1.11 0.00 0.00 32.58 33.83 2f05 s HIS 44 CO 0.81 -0.47 0.00 2.41 -0.85 0.00 0.00 174.74 176.64 2f05 n THR 45 N 1.06 0.00 -3.11 1.30 -1.04 -1.26 -1.78 114.28 109.45 2f05 n THR 45 Ca -0.20 0.21 -0.33 0.00 -2.04 0.00 0.00 64.05 61.69 2f05 n THR 45 Cb 0.57 -0.59 -0.06 0.00 -1.82 0.00 0.00 70.33 68.42 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 -2.53 4.04 0.33 -2.82 2.20 -1.26 -4.63 119.74 115.07 2f05 s LYS 46 Ca 0.00 0.72 0.02 0.00 -0.36 0.00 0.00 55.97 56.35 2f05 s LYS 46 Cb 0.00 -2.43 -0.00 0.00 -1.51 0.00 0.00 37.83 33.88 2f05 s LYS 46 CO 0.00 0.15 0.40 0.41 -0.36 0.00 0.00 175.35 175.95 2f05 n GLY 47 N -0.34 2.42 3.75 5.54 0.00 -1.26 -4.00 105.19 111.30 2f05 n GLY 47 Ca 0.04 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.97 4.39 -0.27 1.61 6.06 -1.26 -4.88 118.95 121.63 2f05 s ARG 48 Ca 0.32 2.08 -0.37 0.00 -2.50 0.00 0.00 55.73 55.26 2f05 s ARG 48 Cb 0.00 -3.17 -0.13 0.00 0.06 0.00 0.00 34.95 31.71 2f05 s ARG 48 CO 0.23 -0.22 1.96 -2.30 -2.50 0.00 0.00 175.30 172.48 2f05 n PRO 49 N 2.17 1.33 -1.23 5.12 -0.02 -1.26 -1.66 135.00 139.46 2f05 n PRO 49 Ca 0.04 0.44 -0.08 0.00 -2.02 0.00 0.00 63.50 61.89 2f05 n PRO 49 Cb 0.43 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 2f05 n PRO 49 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2f05 n PHE 50 N 7.51 0.00 -2.65 6.00 7.35 -1.26 -4.89 117.46 129.52 2f05 n PHE 50 Ca 0.32 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.59 2f05 n PHE 50 Cb 0.20 -2.18 -0.02 0.00 0.35 0.00 0.00 39.48 37.83 2f05 n PHE 50 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 2f05 s ARG 51 N -2.43 3.67 -1.28 -4.13 6.06 -0.66 -4.86 118.95 115.32 2f05 s ARG 51 Ca 0.00 -1.42 -0.11 0.00 -2.50 0.00 0.00 55.73 51.69 2f05 s ARG 51 Cb 0.00 -5.29 0.15 0.00 0.06 0.00 0.00 34.95 29.87 2f05 s ARG 51 CO 0.00 -2.12 1.77 0.41 -2.50 0.00 0.00 175.30 172.87 2f05 n GLY 52 N 6.31 4.22 3.63 8.12 0.00 -1.26 -4.61 105.19 121.60 2f05 n GLY 52 Ca 0.34 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.93 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 1.16 3.90 0.47 1.61 1.75 -1.26 -5.00 119.30 121.92 2f05 s MET 53 Ca 0.42 1.23 -0.21 0.00 -1.25 0.00 0.00 55.69 55.87 2f05 s MET 53 Cb 0.06 -3.88 -0.08 0.00 2.84 0.00 0.00 34.83 33.77 2f05 s MET 53 CO -0.00 -1.13 1.06 -1.12 -0.65 0.00 0.00 175.02 173.17 2f05 s SER 54 N 2.81 6.37 0.36 1.11 0.01 -1.26 -4.74 113.70 118.36 2f05 s SER 54 Ca 0.56 2.00 0.11 0.00 1.31 0.00 0.00 55.95 59.93 2f05 s SER 54 Cb -0.16 -2.57 0.89 0.00 0.21 0.00 0.00 66.02 64.39 2f05 s SER 54 CO 0.23 -0.76 1.82 -0.08 0.41 0.00 0.00 173.24 174.87 2f05 h GLU 55 N 1.78 0.60 -0.41 12.44 4.81 -1.98 0.32 114.58 132.14 2f05 h GLU 55 Ca -0.49 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 58.62 2f05 h GLU 55 Cb 1.22 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 2f05 h GLU 55 CO 0.60 0.39 -0.05 1.49 -0.73 0.00 0.00 179.01 180.71 2f05 h GLU 56 N 0.61 0.75 0.00 1.92 4.81 -1.99 -1.46 114.58 119.22 2f05 h GLU 56 Ca 0.51 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 2f05 h GLU 56 Cb 0.98 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.30 2f05 h GLU 56 CO -0.26 0.86 -0.12 1.05 -0.73 0.00 0.00 179.01 179.81 2f05 h GLU 57 N 0.58 0.00 0.15 1.92 4.11 -1.39 -2.42 114.58 117.54 2f05 h GLU 57 Ca 0.11 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.53 2f05 h GLU 57 Cb 0.55 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 2f05 h GLU 57 CO 0.03 0.12 -0.08 0.28 0.07 0.00 0.00 179.01 179.42 2f05 h VAL 58 N 0.00 0.82 0.00 -1.06 2.07 -0.11 -2.21 116.25 115.76 2f05 h VAL 58 Ca -0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2f05 h VAL 58 Cb 1.06 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 2f05 h VAL 58 CO 0.02 0.00 -0.08 0.15 0.02 0.00 0.00 177.57 177.67 2f05 h PHE 59 N -0.22 0.00 0.34 1.57 3.57 -1.00 -2.17 116.94 119.02 2f05 h PHE 59 Ca -0.02 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2f05 h PHE 59 Cb 0.18 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.92 2f05 h PHE 59 CO -0.08 0.08 -0.17 1.15 -2.23 0.00 0.00 178.31 177.06 2f05 h THR 60 N 0.00 0.64 0.00 4.41 2.02 -0.92 0.45 112.91 119.52 2f05 h THR 60 Ca -0.00 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 2f05 h THR 60 Cb 0.16 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 2f05 h THR 60 CO 0.01 0.00 -0.39 -0.33 0.37 0.00 0.00 175.52 175.18 2f05 h GLU 61 N -0.47 0.00 -0.02 6.66 5.08 -1.10 0.02 114.58 124.75 2f05 h GLU 61 Ca -0.04 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.06 2f05 h GLU 61 Cb 0.37 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.64 2f05 h GLU 61 CO 0.06 0.39 -0.99 0.28 -1.00 0.00 0.00 179.01 177.76 2f05 h VAL 62 N 0.00 1.28 -0.64 3.13 2.07 -1.18 0.21 116.25 121.13 2f05 h VAL 62 Ca -0.00 -2.20 -0.08 0.00 0.82 0.00 0.00 66.70 65.23 2f05 h VAL 62 Cb 0.87 2.34 -0.02 0.00 -1.52 0.00 0.00 31.29 32.95 2f05 h VAL 62 CO 0.05 0.68 0.08 0.00 0.02 0.00 0.00 177.57 178.40 2f05 h ALA 63 N 0.42 0.85 0.00 1.67 0.00 0.19 -0.57 119.26 121.81 2f05 h ALA 63 Ca -0.12 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 2f05 h ALA 63 Cb 1.64 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2f05 h ALA 63 CO 0.20 0.63 -0.28 -0.97 0.00 0.00 0.00 179.25 178.83 2f05 h ASN 64 N 0.98 0.00 0.23 0.00 -1.24 -0.98 -1.16 115.58 113.42 2f05 h ASN 64 Ca 0.19 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.19 2f05 h ASN 64 Cb 0.47 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.52 2f05 h ASN 64 CO 0.02 0.28 -0.11 0.25 -1.29 0.00 0.00 177.43 176.58 2f05 h LEU 65 N 0.00 -0.26 -4.08 0.34 7.12 -0.27 -3.32 115.31 114.85 2f05 h LEU 65 Ca -0.00 -0.26 -0.68 0.00 0.13 0.00 0.00 57.88 57.07 2f05 h LEU 65 Cb 0.52 0.07 -0.30 0.00 -0.53 0.00 0.00 40.66 40.41 2f05 h LEU 65 CO 0.04 0.23 0.75 0.49 -0.13 0.00 0.00 178.44 179.82 2f05 n PHE 66 N -5.00 3.18 -1.67 1.25 3.72 -0.29 -5.00 117.46 113.65 2f05 n PHE 66 Ca -0.08 -2.91 -0.44 0.00 -0.05 0.00 0.00 57.45 53.97 2f05 n PHE 66 Cb 0.26 -1.33 -0.04 0.00 -0.94 0.00 0.00 39.48 37.43 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 -0.86 2.64 0.00 -1.08 1.74 -0.45 -0.81 116.66 117.84 2f05 n ARG 67 Ca 0.60 0.97 0.00 0.00 -0.77 0.00 0.00 57.85 58.65 2f05 n ARG 67 Cb 0.64 -2.87 0.00 0.00 -1.02 0.00 0.00 32.46 29.21 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 4.41 2.73 2.94 -0.13 0.00 -1.26 -4.96 105.19 108.91 2f05 n GLY 68 Ca 0.20 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 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 3.42 0.16 1.61 1.13 0.01 -4.76 117.38 118.94 2f05 n GLN 69 Ca 0.00 -3.36 0.13 0.00 -1.94 0.00 0.00 57.00 51.83 2f05 n GLN 69 Cb 0.00 -3.04 0.53 0.00 0.11 0.00 0.00 30.24 27.84 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 6.03 0.00 -0.26 -1.09 5.08 -1.93 -2.32 114.58 120.09 2f05 h GLU 70 Ca 0.42 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.78 2f05 h GLU 70 Cb 0.67 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2f05 h GLU 70 CO 1.63 0.00 0.14 -0.44 -1.00 0.00 0.00 179.01 179.34 2f05 h ASP 71 N 0.00 0.33 -0.14 1.42 5.19 -1.95 -0.50 116.42 120.77 2f05 h ASP 71 Ca 0.00 -0.10 -0.07 0.00 -0.62 0.00 0.00 57.03 56.24 2f05 h ASP 71 Cb 0.40 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.81 2f05 h ASP 71 CO 0.00 0.33 -0.13 -0.07 -3.12 0.00 0.00 179.24 176.25 2f05 h LEU 72 N 0.30 0.49 -0.04 1.55 3.38 -1.81 -2.09 115.31 117.09 2f05 h LEU 72 Ca 0.09 -0.13 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 2f05 h LEU 72 Cb 0.08 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.71 2f05 h LEU 72 CO -0.01 0.65 -0.60 -0.07 0.09 0.00 0.00 178.44 178.50 2f05 h LEU 73 N 0.46 0.60 -0.36 1.67 3.38 -1.35 -0.62 115.31 119.09 2f05 h LEU 73 Ca 0.08 -0.71 -0.05 0.00 0.09 0.00 0.00 57.88 57.29 2f05 h LEU 73 Cb 0.51 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2f05 h LEU 73 CO 0.03 1.23 0.03 0.28 0.09 0.00 0.00 178.44 180.09 2f05 h SER 74 N 0.03 0.60 0.74 -0.43 0.02 -0.99 -2.89 113.55 110.62 2f05 h SER 74 Ca -0.06 -0.29 -0.13 0.00 -0.84 0.00 0.00 61.79 60.47 2f05 h SER 74 Cb 1.28 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.64 2f05 h SER 74 CO 0.12 0.74 -0.62 -0.33 -1.14 0.00 0.00 176.83 175.60 2f05 h GLU 75 N 0.44 0.00 -0.76 3.45 4.39 -1.41 -3.01 114.58 117.68 2f05 h GLU 75 Ca 0.11 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.86 2f05 h GLU 75 Cb 0.41 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.01 2f05 h GLU 75 CO 0.01 0.62 0.46 0.35 -1.16 0.00 0.00 179.01 179.29 2f05 h PHE 76 N 0.00 0.84 0.00 4.33 3.57 -0.94 0.27 116.94 125.01 2f05 h PHE 76 Ca -0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2f05 h PHE 76 Cb 1.15 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.62 2f05 h PHE 76 CO 0.00 0.43 0.00 0.78 -2.23 0.00 0.00 178.31 177.29 2f05 h GLY 77 N 0.85 0.00 0.85 2.40 0.00 -1.38 -0.41 103.07 105.38 2f05 h GLY 77 Ca 0.33 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.31 2f05 h GLY 77 CO -0.16 0.00 -1.81 -1.61 0.00 0.00 0.00 176.54 172.95 2f05 h GLN 78 N 0.00 0.35 -0.66 4.80 -0.00 -1.07 -3.35 115.11 115.18 2f05 h GLN 78 Ca 0.00 -0.60 -0.03 0.00 -0.00 0.00 0.00 58.65 58.03 2f05 h GLN 78 Cb 0.52 0.22 -0.03 0.00 0.00 0.00 0.00 27.48 28.19 2f05 h GLN 78 CO 0.00 1.27 0.30 0.35 0.00 0.00 0.00 178.83 180.75 2f05 h PHE 79 N 0.10 0.97 -4.28 3.99 3.57 -0.16 -3.45 116.94 117.68 2f05 h PHE 79 Ca -0.36 -0.06 -0.52 0.00 3.53 0.00 0.00 57.97 60.56 2f05 h PHE 79 Cb 2.08 -0.30 0.18 0.00 2.79 0.00 0.00 35.95 40.70 2f05 h PHE 79 CO 0.09 0.74 0.25 -0.51 -2.23 0.00 0.00 178.31 176.65 2f05 s LEU 80 N -9.82 2.91 0.48 0.59 1.02 -0.20 -4.93 118.68 108.73 2f05 s LEU 80 Ca -0.13 2.11 0.25 0.00 0.02 0.00 0.00 54.13 56.38 2f05 s LEU 80 Cb 0.14 -4.56 1.18 0.00 0.02 0.00 0.00 46.19 42.96 2f05 s LEU 80 CO 0.80 -2.82 1.95 1.55 0.02 0.00 0.00 176.35 177.84 2f05 h PRO 81 N -1.64 0.00 -5.57 1.29 0.13 -1.88 -3.47 132.00 120.86 2f05 h PRO 81 Ca -0.43 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.39 2f05 h PRO 81 Cb 1.26 0.00 0.18 0.00 0.13 0.00 0.00 31.00 32.57 2f05 h PRO 81 CO 0.44 0.19 -0.79 0.39 -0.23 0.00 0.00 178.00 178.00 2f05 n GLU 82 N -3.55 -5.51 0.01 0.86 1.02 -1.26 -4.93 120.64 107.27 2f05 n GLU 82 Ca -0.01 0.85 -0.14 0.00 -0.02 0.00 0.00 57.16 57.83 2f05 n GLU 82 Cb 0.33 -5.83 -0.03 0.00 -0.02 0.00 0.00 31.44 25.89 2f05 n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2f05 h ALA 83 N 0.66 0.42 0.00 0.62 0.00 -2.00 -3.15 119.26 115.81 2f05 h ALA 83 Ca -0.59 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 53.69 2f05 h ALA 83 Cb 1.33 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2f05 h ALA 83 CO 0.48 0.72 -0.43 0.87 0.00 0.00 0.00 179.25 180.89 2f05 h LYS 84 N 0.43 0.00 -0.01 0.00 1.79 -1.99 -3.52 116.57 113.26 2f05 h LYS 84 Ca -0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2f05 h LYS 84 Cb 1.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.03 2f05 h LYS 84 CO 0.15 0.08 0.00 -2.13 -1.08 0.00 0.00 179.45 176.47