#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f05 n SER 2 N 0.00 -7.92 -4.59 4.31 7.64 -1.26 -4.83 113.62 106.98 2f05 n SER 2 Ca 0.00 1.18 -0.42 0.00 1.01 0.00 0.00 58.87 60.64 2f05 n SER 2 Cb 0.00 -5.09 -0.03 0.00 -1.01 0.00 0.00 64.21 58.08 2f05 n SER 2 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2f05 s ASP 3 N -1.79 5.40 -0.75 6.43 1.11 -1.26 -4.86 116.67 120.94 2f05 s ASP 3 Ca 0.06 1.68 0.03 0.00 0.18 0.00 0.00 52.55 54.50 2f05 s ASP 3 Cb -0.01 -2.51 0.29 0.00 1.07 0.00 0.00 42.92 41.75 2f05 s ASP 3 CO 0.74 -2.04 1.02 -1.20 1.18 0.00 0.00 175.17 174.88 2f05 n SER 4 N 11.99 4.75 0.04 0.27 7.64 -1.26 -4.89 113.62 132.15 2f05 n SER 4 Ca 0.29 -3.51 -0.12 0.00 1.01 0.00 0.00 58.87 56.54 2f05 n SER 4 Cb 0.46 -0.81 -0.08 0.00 -1.01 0.00 0.00 64.21 62.78 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 3.11 1.05 -0.32 0.44 2.07 -1.99 0.33 116.25 120.95 2f05 h VAL 5 Ca 0.21 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.47 2f05 h VAL 5 Cb 0.59 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 2f05 h VAL 5 CO 0.96 0.05 -0.10 -0.33 0.02 0.00 0.00 177.57 178.18 2f05 h GLU 6 N -0.10 0.54 -0.24 1.57 4.39 -1.99 -0.35 114.58 118.40 2f05 h GLU 6 Ca -0.00 -0.15 -0.07 0.00 0.34 0.00 0.00 59.36 59.48 2f05 h GLU 6 Cb 0.10 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 2f05 h GLU 6 CO 0.00 0.64 -0.11 0.35 -1.16 0.00 0.00 179.01 178.74 2f05 h PHE 7 N 0.51 0.57 -0.88 4.33 3.57 -1.88 -1.39 116.94 121.77 2f05 h PHE 7 Ca 0.10 -0.14 0.03 0.00 3.53 0.00 0.00 57.97 61.48 2f05 h PHE 7 Cb 0.48 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.04 2f05 h PHE 7 CO 0.02 0.76 0.57 -0.91 -2.23 0.00 0.00 178.31 176.51 2f05 h ASN 8 N 0.22 0.96 -0.43 0.41 2.35 0.32 0.53 115.58 119.94 2f05 h ASN 8 Ca 0.05 -0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.81 2f05 h ASN 8 Cb 0.60 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.72 2f05 h ASN 8 CO 0.03 0.67 0.26 0.78 -1.65 0.00 0.00 177.43 177.52 2f05 h ASN 9 N 1.12 0.42 0.14 5.81 2.35 -0.96 0.54 115.58 125.01 2f05 h ASN 9 Ca 0.34 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.09 2f05 h ASN 9 Cb -0.03 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 2f05 h ASN 9 CO -0.10 0.30 -0.10 0.00 -1.65 0.00 0.00 177.43 175.87 2f05 h ALA 10 N 1.19 -0.23 -0.68 -0.83 0.00 -0.18 -2.96 119.26 115.56 2f05 h ALA 10 Ca 0.17 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.13 2f05 h ALA 10 Cb -0.00 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 2f05 h ALA 10 CO -0.07 -0.64 0.33 0.82 0.00 0.00 0.00 179.25 179.68 2f05 h ILE 11 N -0.25 0.85 -0.61 0.00 1.08 0.51 0.26 117.51 119.36 2f05 h ILE 11 Ca -0.01 -0.20 0.05 0.00 -0.39 0.00 0.00 64.86 64.31 2f05 h ILE 11 Cb 0.22 0.23 -0.05 0.00 -3.07 0.00 0.00 36.82 34.16 2f05 h ILE 11 CO -0.01 0.10 0.34 0.28 -0.69 0.00 0.00 178.15 178.18 2f05 h SER 12 N 0.57 0.52 0.67 1.72 0.02 -0.75 0.75 113.55 117.05 2f05 h SER 12 Ca 0.33 0.02 -0.23 0.00 -0.84 0.00 0.00 61.79 61.07 2f05 h SER 12 Cb 0.34 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2f05 h SER 12 CO -0.26 0.35 -1.05 1.88 -1.14 0.00 0.00 176.83 176.61 2f05 h TYR 13 N 0.65 0.33 -0.43 3.45 -1.99 -1.20 -2.44 116.97 115.35 2f05 h TYR 13 Ca 0.26 -0.22 -0.04 0.00 2.00 0.00 0.00 58.73 60.73 2f05 h TYR 13 Cb 0.12 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 38.81 2f05 h TYR 13 CO -0.08 1.11 0.10 0.28 -0.00 0.00 0.00 178.16 179.58 2f05 h VAL 14 N 0.08 1.23 -0.46 -2.88 2.07 0.13 -0.22 116.25 116.20 2f05 h VAL 14 Ca -0.07 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 2f05 h VAL 14 Cb 1.75 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 2f05 h VAL 14 CO 0.16 0.28 0.18 -1.13 0.02 0.00 0.00 177.57 177.08 2f05 h ASN 15 N 0.55 0.59 -0.21 0.57 -1.24 0.46 0.36 115.58 116.66 2f05 h ASN 15 Ca 0.13 -0.07 -0.02 0.00 0.71 0.00 0.00 56.30 57.06 2f05 h ASN 15 Cb 0.32 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.21 2f05 h ASN 15 CO 0.00 0.54 0.06 0.50 -1.29 0.00 0.00 177.43 177.24 2f05 h LYS 16 N 0.65 0.33 -0.22 6.67 3.64 -1.00 -0.41 116.57 126.23 2f05 h LYS 16 Ca 0.16 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 2f05 h LYS 16 Cb 0.14 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2f05 h LYS 16 CO -0.02 0.43 0.08 0.82 -2.27 0.00 0.00 179.45 178.50 2f05 h ILE 17 N 0.17 0.96 -0.52 2.00 2.04 -0.11 -0.52 117.51 121.52 2f05 h ILE 17 Ca 0.07 -0.07 0.09 0.00 1.00 0.00 0.00 64.86 65.95 2f05 h ILE 17 Cb 0.24 0.75 -0.07 0.00 -0.74 0.00 0.00 36.82 37.00 2f05 h ILE 17 CO -0.00 0.03 0.11 0.11 0.00 0.00 0.00 178.15 178.41 2f05 h LYS 18 N 0.19 0.24 -0.46 2.37 1.57 -0.05 -0.43 116.57 120.01 2f05 h LYS 18 Ca 0.10 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.72 2f05 h LYS 18 Cb 0.06 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2f05 h LYS 18 CO -0.09 0.16 -0.26 1.15 -0.57 0.00 0.00 179.45 179.84 2f05 h THR 19 N 0.25 1.27 0.00 -0.16 2.02 -0.78 0.82 112.91 116.33 2f05 h THR 19 Ca 0.27 -1.43 -0.13 0.00 0.77 0.00 0.00 66.41 65.89 2f05 h THR 19 Cb 0.36 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 2f05 h THR 19 CO -0.34 0.49 -0.61 0.03 0.37 0.00 0.00 175.52 175.46 2f05 h ARG 20 N 0.84 0.00 -0.39 6.66 2.47 -0.45 -2.97 114.38 120.54 2f05 h ARG 20 Ca 0.10 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.53 2f05 h ARG 20 Cb 0.85 0.00 -0.23 0.00 -1.65 0.00 0.00 29.97 28.94 2f05 h ARG 20 CO 0.08 0.61 -0.69 1.19 0.56 0.00 0.00 179.97 181.72 2f05 n PHE 21 N -3.68 1.42 0.03 3.04 3.72 -0.23 -4.77 117.46 116.98 2f05 n PHE 21 Ca -0.01 -1.86 -0.01 0.00 -0.05 0.00 0.00 57.45 55.52 2f05 n PHE 21 Cb 0.63 -0.29 0.26 0.00 -0.94 0.00 0.00 39.48 39.14 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 1.63 0.43 -1.06 4.37 6.46 -0.66 -0.55 115.31 125.93 2f05 h LEU 22 Ca 0.18 -0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 2f05 h LEU 22 Cb 1.30 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.11 2f05 h LEU 22 CO 0.39 0.61 -0.03 -0.67 -0.62 0.00 0.00 178.44 178.12 2f05 n ASP 23 N -4.19 1.68 -3.43 1.25 2.03 -1.26 -4.42 116.55 108.20 2f05 n ASP 23 Ca 0.00 -1.52 -0.26 0.00 0.52 0.00 0.00 54.79 53.53 2f05 n ASP 23 Cb 0.33 0.02 -0.09 0.00 -0.72 0.00 0.00 41.12 40.67 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 0.26 1.76 0.26 -0.67 8.25 -0.21 -4.96 115.22 119.91 2f05 n HIS 24 Ca 0.18 -3.89 0.09 0.00 -0.26 0.00 0.00 57.72 53.83 2f05 n HIS 24 Cb 0.39 -0.40 0.66 0.00 1.12 0.00 0.00 29.99 31.76 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 4.51 0.00 -0.75 -0.41 0.11 -1.77 -2.35 132.00 131.34 2f05 h PRO 25 Ca 0.16 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.33 2f05 h PRO 25 Cb 0.78 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.83 2f05 h PRO 25 CO 0.64 0.01 0.45 1.05 -0.21 0.00 0.00 178.00 179.94 2f05 h GLU 26 N 0.00 0.80 -0.31 1.05 4.11 -1.93 -2.20 114.58 116.10 2f05 h GLU 26 Ca -0.00 -0.05 -0.00 0.00 0.07 0.00 0.00 59.36 59.38 2f05 h GLU 26 Cb 0.01 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 2f05 h GLU 26 CO 0.00 0.53 0.18 0.82 0.07 0.00 0.00 179.01 180.62 2f05 h ILE 27 N 0.83 1.11 -0.21 -1.06 2.04 -1.76 0.40 117.51 118.85 2f05 h ILE 27 Ca 0.33 -0.27 0.02 0.00 1.00 0.00 0.00 64.86 65.95 2f05 h ILE 27 Cb 0.17 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 2f05 h ILE 27 CO -0.17 0.11 0.06 0.22 0.00 0.00 0.00 178.15 178.36 2f05 h TYR 28 N 0.39 0.10 -0.28 1.37 3.20 -1.57 -2.56 116.97 117.63 2f05 h TYR 28 Ca 0.11 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.87 2f05 h TYR 28 Cb 0.02 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 2f05 h TYR 28 CO -0.04 0.04 -0.31 0.00 -1.64 0.00 0.00 178.16 176.21 2f05 h ARG 29 N 0.15 0.70 -0.01 1.82 3.08 -0.77 -2.06 114.38 117.29 2f05 h ARG 29 Ca 0.09 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.76 2f05 h ARG 29 Cb 0.08 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 2f05 h ARG 29 CO -0.11 1.00 0.00 0.77 -1.07 0.00 0.00 179.97 180.56 2f05 h SER 30 N 0.43 0.00 0.00 7.04 0.02 -0.11 -1.49 113.55 119.45 2f05 h SER 30 Ca 0.04 -0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.91 2f05 h SER 30 Cb 0.89 -0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.43 2f05 h SER 30 CO 0.08 0.00 -0.33 0.15 -1.14 0.00 0.00 176.83 175.59 2f05 h PHE 31 N 0.01 0.32 -0.96 3.45 3.57 -1.30 -3.35 116.94 118.67 2f05 h PHE 31 Ca 0.00 -0.18 0.20 0.00 3.53 0.00 0.00 57.97 61.52 2f05 h PHE 31 Cb 0.00 -0.04 -0.08 0.00 2.79 0.00 0.00 35.95 38.62 2f05 h PHE 31 CO -0.00 1.00 0.61 -0.07 -2.23 0.00 0.00 178.31 177.62 2f05 h LEU 32 N -0.44 0.57 -1.41 0.59 3.38 -0.56 0.14 115.31 117.58 2f05 h LEU 32 Ca -0.04 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 2f05 h LEU 32 Cb 1.09 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2f05 h LEU 32 CO 0.06 0.21 -0.29 1.05 0.09 0.00 0.00 178.44 179.57 2f05 h GLU 33 N 0.56 0.00 -0.19 1.13 4.11 -1.52 -1.52 114.58 117.15 2f05 h GLU 33 Ca 0.52 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.86 2f05 h GLU 33 Cb 1.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 2f05 h GLU 33 CO -0.26 0.29 -0.23 0.82 0.07 0.00 0.00 179.01 179.70 2f05 h ILE 34 N 0.00 1.34 -0.16 -1.06 2.04 -0.85 0.14 117.51 118.95 2f05 h ILE 34 Ca -0.00 -1.42 -0.11 0.00 1.00 0.00 0.00 64.86 64.33 2f05 h ILE 34 Cb 0.57 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 2f05 h ILE 34 CO 0.04 0.43 -0.38 0.25 0.00 0.00 0.00 178.15 178.48 2f05 h LEU 35 N 0.15 0.36 -0.25 1.44 7.12 -1.38 0.39 115.31 123.14 2f05 h LEU 35 Ca 0.03 -0.15 -0.01 0.00 0.13 0.00 0.00 57.88 57.88 2f05 h LEU 35 Cb 0.79 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.81 2f05 h LEU 35 CO 0.05 0.71 0.13 -0.74 -0.13 0.00 0.00 178.44 178.47 2f05 h HIS 36 N 0.29 0.34 -0.47 1.25 2.76 -1.10 -2.19 115.15 116.03 2f05 h HIS 36 Ca 0.03 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 2f05 h HIS 36 Cb 0.81 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.64 2f05 h HIS 36 CO 0.02 0.30 0.22 1.15 -1.30 0.00 0.00 177.93 178.32 2f05 h THR 37 N 0.29 1.19 0.10 6.26 2.02 -0.25 -3.19 112.91 119.33 2f05 h THR 37 Ca 0.09 -0.55 0.02 0.00 0.77 0.00 0.00 66.41 66.74 2f05 h THR 37 Cb 0.07 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 2f05 h THR 37 CO -0.01 0.21 -0.22 0.22 0.37 0.00 0.00 175.52 176.09 2f05 h TYR 38 N 0.62 -0.58 -0.29 3.16 3.20 0.05 -1.47 116.97 121.66 2f05 h TYR 38 Ca 0.16 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 2f05 h TYR 38 Cb 0.13 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 2f05 h TYR 38 CO -0.01 -0.32 -0.11 1.96 -1.64 0.00 0.00 178.16 178.05 2f05 h GLN 39 N -0.41 0.48 0.00 1.82 1.08 -1.46 0.16 115.11 116.79 2f05 h GLN 39 Ca 0.03 -0.13 -0.12 0.00 -1.45 0.00 0.00 58.65 56.97 2f05 h GLN 39 Cb 0.43 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 2f05 h GLN 39 CO -0.13 0.60 -0.59 0.87 -0.95 0.00 0.00 178.83 178.63 2f05 h LYS 40 N 0.45 0.00 0.00 1.46 6.56 -1.46 -2.95 116.57 120.64 2f05 h LYS 40 Ca 0.09 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.61 2f05 h LYS 40 Cb 0.47 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.12 2f05 h LYS 40 CO 0.03 0.59 -1.87 -1.91 -2.06 0.00 0.00 179.45 174.22 2f05 n GLU 41 N -3.47 0.65 0.06 3.15 4.07 -0.59 -3.44 120.64 121.08 2f05 n GLU 41 Ca 0.00 -0.10 -0.12 0.00 -0.06 0.00 0.00 57.16 56.88 2f05 n GLU 41 Cb 0.68 -1.58 -0.02 0.00 -0.06 0.00 0.00 31.44 30.45 2f05 n GLU 41 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 2f05 h GLN 42 N 0.00 0.43 0.25 5.31 1.08 -0.75 -2.97 115.11 118.47 2f05 h GLN 42 Ca -0.08 -0.41 -0.01 0.00 -1.45 0.00 0.00 58.65 56.69 2f05 h GLN 42 Cb 1.21 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.74 2f05 h GLN 42 CO 0.01 1.07 -0.12 1.25 -0.95 0.00 0.00 178.83 180.08 2f05 h LEU 43 N 0.27 -0.29 -8.01 1.46 7.12 -1.69 -3.41 115.31 110.76 2f05 h LEU 43 Ca -0.06 0.01 -0.69 0.00 0.13 0.00 0.00 57.88 57.27 2f05 h LEU 43 Cb 1.47 0.07 -0.32 0.00 -0.53 0.00 0.00 40.66 41.35 2f05 h LEU 43 CO 0.15 0.13 -0.62 -1.00 -0.13 0.00 0.00 178.44 176.97 2f05 s HIS 44 N -2.64 3.37 -0.83 1.25 3.76 -1.22 -5.03 115.29 113.94 2f05 s HIS 44 Ca -0.05 -1.92 -0.24 0.00 -0.15 0.00 0.00 55.06 52.71 2f05 s HIS 44 Cb 0.00 -2.54 0.06 0.00 1.11 0.00 0.00 32.58 31.21 2f05 s HIS 44 CO 0.15 -0.84 1.24 0.99 -0.85 0.00 0.00 174.74 175.43 2f05 s THR 45 N 1.26 4.04 -0.11 1.30 2.01 -1.12 -4.18 115.64 118.85 2f05 s THR 45 Ca 0.00 -0.36 0.07 0.00 0.31 0.00 0.00 61.69 61.72 2f05 s THR 45 Cb -0.21 -4.89 -0.12 0.00 0.01 0.00 0.00 72.50 67.30 2f05 s THR 45 CO -0.01 -1.75 -0.01 2.29 -0.69 0.00 0.00 174.62 174.46 2f05 n LYS 46 N 8.50 1.79 0.08 4.92 2.85 -1.26 -4.71 118.16 130.32 2f05 n LYS 46 Ca 0.13 0.02 -0.12 0.00 -1.05 0.00 0.00 58.31 57.29 2f05 n LYS 46 Cb 0.49 -1.26 -0.05 0.00 -0.65 0.00 0.00 35.03 33.55 2f05 n LYS 46 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 2f05 h GLY 47 N 1.76 -0.23 -5.27 2.58 0.00 -1.92 -3.44 103.07 96.54 2f05 h GLY 47 Ca -0.28 0.16 -0.13 0.00 0.00 0.00 0.00 47.33 47.08 2f05 h GLY 47 CO -0.00 -0.14 -0.29 -1.60 0.00 0.00 0.00 176.54 174.51 2f05 s ARG 48 N -6.14 0.43 -0.42 4.80 3.52 -1.26 -5.00 118.95 114.88 2f05 s ARG 48 Ca -0.15 0.51 -0.29 0.00 -0.13 0.00 0.00 55.73 55.68 2f05 s ARG 48 Cb 0.08 0.21 -0.08 0.00 -1.56 0.00 0.00 34.95 33.59 2f05 s ARG 48 CO 0.66 -0.05 2.34 -0.35 -0.81 0.00 0.00 175.30 177.09 2f05 n PRO 49 N 2.89 1.26 -1.90 5.12 -0.04 -1.26 -1.40 135.00 139.67 2f05 n PRO 49 Ca -0.13 0.21 -0.20 0.00 -0.04 0.00 0.00 63.50 63.34 2f05 n PRO 49 Cb 0.57 -3.06 -0.05 0.00 -0.04 0.00 0.00 33.50 30.91 2f05 n PRO 49 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2f05 n PHE 50 N 13.17 -0.38 -2.77 0.54 7.35 -1.26 -4.80 117.46 129.30 2f05 n PHE 50 Ca 0.38 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 57.05 2f05 n PHE 50 Cb 0.42 -3.53 0.06 0.00 0.35 0.00 0.00 39.48 36.78 2f05 n PHE 50 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 2f05 n ARG 51 N -2.62 1.54 0.00 -4.13 3.00 -0.49 -4.94 116.66 109.02 2f05 n ARG 51 Ca -0.21 -3.02 0.00 0.00 -0.00 0.00 0.00 57.85 54.61 2f05 n ARG 51 Cb 0.66 -1.15 0.00 0.00 0.00 0.00 0.00 32.46 31.97 2f05 n ARG 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2f05 n GLY 52 N -0.66 -1.22 2.70 5.14 0.00 -1.09 -4.33 105.19 105.73 2f05 n GLY 52 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.32 0.19 0.46 1.61 1.75 -1.26 -4.81 119.30 115.91 2f05 s MET 53 Ca 0.00 0.02 -0.22 0.00 -1.25 0.00 0.00 55.69 54.24 2f05 s MET 53 Cb 0.00 -1.23 -0.08 0.00 2.84 0.00 0.00 34.83 36.36 2f05 s MET 53 CO 0.00 -0.76 1.06 -1.12 -0.65 0.00 0.00 175.02 173.56 2f05 s SER 54 N 2.27 6.39 0.43 1.11 0.01 -1.26 -4.90 113.70 117.76 2f05 s SER 54 Ca 0.07 2.02 0.15 0.00 1.31 0.00 0.00 55.95 59.50 2f05 s SER 54 Cb -0.16 -2.57 0.95 0.00 0.21 0.00 0.00 66.02 64.45 2f05 s SER 54 CO -0.18 -0.75 1.95 -0.08 0.41 0.00 0.00 173.24 174.59 2f05 h GLU 55 N 1.86 0.00 -0.22 12.44 4.81 -2.00 0.24 114.58 131.71 2f05 h GLU 55 Ca -0.49 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.72 2f05 h GLU 55 Cb 1.23 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 2f05 h GLU 55 CO 0.60 0.23 0.07 1.49 -0.73 0.00 0.00 179.01 180.68 2f05 h GLU 56 N 0.00 0.33 -0.03 1.92 4.81 -1.98 0.08 114.58 119.71 2f05 h GLU 56 Ca -0.00 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.03 2f05 h GLU 56 Cb 0.43 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 2f05 h GLU 56 CO 0.03 0.41 -0.59 1.05 -0.73 0.00 0.00 179.01 179.18 2f05 h GLU 57 N 0.18 0.08 0.45 1.92 4.11 -1.55 0.98 114.58 120.76 2f05 h GLU 57 Ca 0.07 -0.06 -0.02 0.00 0.07 0.00 0.00 59.36 59.42 2f05 h GLU 57 Cb 0.21 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2f05 h GLU 57 CO -0.00 0.65 -0.23 0.28 0.07 0.00 0.00 179.01 179.78 2f05 h VAL 58 N 0.06 0.54 -0.40 -1.06 2.07 -0.86 -1.29 116.25 115.31 2f05 h VAL 58 Ca -0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 2f05 h VAL 58 Cb 1.05 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 2f05 h VAL 58 CO 0.08 0.00 0.11 0.15 0.02 0.00 0.00 177.57 177.93 2f05 h PHE 59 N -0.62 0.58 -0.07 1.57 3.57 -0.64 -2.33 116.94 119.00 2f05 h PHE 59 Ca -0.06 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.42 2f05 h PHE 59 Cb 0.48 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 2f05 h PHE 59 CO -0.05 0.50 -0.01 1.15 -2.23 0.00 0.00 178.31 177.66 2f05 h THR 60 N 0.57 0.94 -0.12 4.41 2.02 -0.39 0.32 112.91 120.67 2f05 h THR 60 Ca 0.14 -0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.19 2f05 h THR 60 Cb 0.19 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 2f05 h THR 60 CO -0.01 0.00 -0.45 -0.33 0.37 0.00 0.00 175.52 175.11 2f05 h GLU 61 N 0.01 0.28 -0.15 6.66 5.08 -0.81 0.15 114.58 125.80 2f05 h GLU 61 Ca 0.03 -0.14 -0.20 0.00 -1.00 0.00 0.00 59.36 58.05 2f05 h GLU 61 Cb 0.05 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.31 2f05 h GLU 61 CO -0.07 0.67 -0.67 0.28 -1.00 0.00 0.00 179.01 178.23 2f05 h VAL 62 N 0.23 1.30 -0.01 3.13 2.07 -1.18 -0.70 116.25 121.09 2f05 h VAL 62 Ca 0.02 -1.90 -0.07 0.00 0.82 0.00 0.00 66.70 65.56 2f05 h VAL 62 Cb 0.88 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 2f05 h VAL 62 CO 0.07 0.60 -0.35 0.00 0.02 0.00 0.00 177.57 177.91 2f05 h ALA 63 N 0.54 1.41 0.00 1.67 0.00 -0.07 -0.43 119.26 122.37 2f05 h ALA 63 Ca -0.04 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 2f05 h ALA 63 Cb 1.30 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2f05 h ALA 63 CO 0.14 0.44 -0.50 -0.97 0.00 0.00 0.00 179.25 178.37 2f05 h ASN 64 N 0.02 0.00 0.18 0.00 -1.24 -0.55 -1.32 115.58 112.68 2f05 h ASN 64 Ca -0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 2f05 h ASN 64 Cb 0.62 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.67 2f05 h ASN 64 CO 0.05 0.50 -0.09 0.25 -1.29 0.00 0.00 177.43 176.85 2f05 h LEU 65 N 0.00 -0.21 -4.97 0.34 7.12 -0.15 -3.36 115.31 114.09 2f05 h LEU 65 Ca -0.00 -0.15 -0.76 0.00 0.13 0.00 0.00 57.88 57.09 2f05 h LEU 65 Cb 0.96 0.05 -0.27 0.00 -0.53 0.00 0.00 40.66 40.88 2f05 h LEU 65 CO 0.06 0.32 1.05 0.49 -0.13 0.00 0.00 178.44 180.24 2f05 n PHE 66 N -4.93 2.96 -1.68 1.25 3.72 -0.27 -4.99 117.46 113.53 2f05 n PHE 66 Ca -0.05 -2.33 -0.48 0.00 -0.05 0.00 0.00 57.45 54.54 2f05 n PHE 66 Cb 0.18 -1.20 -0.05 0.00 -0.94 0.00 0.00 39.48 37.47 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 -0.53 2.10 0.00 -1.08 1.74 -0.50 -1.37 116.66 117.02 2f05 n ARG 67 Ca 0.54 0.77 0.00 0.00 -0.77 0.00 0.00 57.85 58.39 2f05 n ARG 67 Cb 0.25 -2.58 0.00 0.00 -1.02 0.00 0.00 32.46 29.10 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 4.13 2.78 2.70 -0.13 0.00 -1.26 -4.92 105.19 108.50 2f05 n GLY 68 Ca 0.21 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 2.43 0.13 1.61 1.13 -0.47 -4.63 117.38 117.58 2f05 n GLN 69 Ca 0.00 -1.96 0.14 0.00 -1.94 0.00 0.00 57.00 53.24 2f05 n GLN 69 Cb 0.00 -2.83 0.66 0.00 0.11 0.00 0.00 30.24 28.18 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 6.39 0.01 -0.35 -1.09 5.08 -1.91 -0.85 114.58 121.86 2f05 h GLU 70 Ca 0.57 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.99 2f05 h GLU 70 Cb 0.42 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 2f05 h GLU 70 CO 1.75 0.01 0.06 0.22 -1.00 0.00 0.00 179.01 180.05 2f05 h ASP 71 N 0.01 -0.01 0.32 1.42 3.58 -1.96 0.27 116.42 120.06 2f05 h ASP 71 Ca 0.13 0.06 -0.20 0.00 0.42 0.00 0.00 57.03 57.44 2f05 h ASP 71 Cb 0.50 0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.63 2f05 h ASP 71 CO -0.00 0.03 -0.83 -0.07 -2.88 0.00 0.00 179.24 175.48 2f05 h LEU 72 N 0.17 0.48 -0.66 2.28 3.38 -1.59 -3.28 115.31 116.09 2f05 h LEU 72 Ca 0.17 -0.35 -0.14 0.00 0.09 0.00 0.00 57.88 57.64 2f05 h LEU 72 Cb 0.20 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2f05 h LEU 72 CO -0.23 1.12 -0.60 -0.07 0.09 0.00 0.00 178.44 178.75 2f05 h LEU 73 N 0.24 0.26 -0.89 1.67 3.38 -0.69 -2.97 115.31 116.31 2f05 h LEU 73 Ca -0.05 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 2f05 h LEU 73 Cb 1.44 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 2f05 h LEU 73 CO 0.14 0.80 -0.14 0.28 0.09 0.00 0.00 178.44 179.61 2f05 h SER 74 N 0.17 0.65 1.42 -0.43 0.02 -0.54 -2.66 113.55 112.18 2f05 h SER 74 Ca -0.01 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.71 2f05 h SER 74 Cb 1.10 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.46 2f05 h SER 74 CO 0.09 0.81 -0.17 -0.33 -1.14 0.00 0.00 176.83 176.09 2f05 h GLU 75 N 0.59 0.00 -0.87 3.45 4.39 -1.62 -3.23 114.58 117.29 2f05 h GLU 75 Ca 0.10 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.85 2f05 h GLU 75 Cb 0.59 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.18 2f05 h GLU 75 CO 0.04 0.17 0.55 0.35 -1.16 0.00 0.00 179.01 178.96 2f05 h PHE 76 N 0.00 1.03 0.00 4.33 3.57 -1.36 0.32 116.94 124.84 2f05 h PHE 76 Ca -0.00 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 2f05 h PHE 76 Cb 0.93 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.33 2f05 h PHE 76 CO 0.00 0.56 -0.15 0.78 -2.23 0.00 0.00 178.31 177.27 2f05 h GLY 77 N 1.04 0.00 1.16 2.40 0.00 -1.66 0.07 103.07 106.08 2f05 h GLY 77 Ca 0.36 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.43 2f05 h GLY 77 CO -0.15 0.00 -1.56 1.46 0.00 0.00 0.00 176.54 176.30 2f05 h GLN 78 N 0.00 0.00 -0.10 4.80 4.20 -1.39 -0.68 115.11 121.94 2f05 h GLN 78 Ca -0.00 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.53 2f05 h GLN 78 Cb 0.44 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 2f05 h GLN 78 CO 0.02 0.56 -0.69 0.35 -0.67 0.00 0.00 178.83 178.40 2f05 h PHE 79 N 0.00 0.61 -4.31 2.96 3.57 -0.53 -3.35 116.94 115.88 2f05 h PHE 79 Ca -0.23 -0.25 -0.51 0.00 3.53 0.00 0.00 57.97 60.50 2f05 h PHE 79 Cb 1.94 -0.10 0.13 0.00 2.79 0.00 0.00 35.95 40.71 2f05 h PHE 79 CO 0.00 1.01 0.33 -0.51 -2.23 0.00 0.00 178.31 176.90 2f05 s LEU 80 N -8.07 3.03 0.00 0.59 1.43 -0.03 -4.90 118.68 110.73 2f05 s LEU 80 Ca -0.06 1.78 0.00 0.00 -1.03 0.00 0.00 54.13 54.82 2f05 s LEU 80 Cb 0.11 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 41.83 2f05 s LEU 80 CO 0.84 -1.95 0.10 -0.81 0.23 0.00 0.00 176.35 174.76 2f05 n PRO 81 N -3.47 0.11 0.00 1.29 -0.04 -1.26 -3.89 135.00 127.74 2f05 n PRO 81 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2f05 n PRO 81 Cb 0.53 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.99 2f05 n PRO 81 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2f05 n GLU 82 N -0.43 0.00 0.25 0.54 -0.58 -1.25 -3.98 120.64 115.19 2f05 n GLU 82 Ca 0.00 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.88 2f05 n GLU 82 Cb 0.00 -0.29 0.58 0.00 -0.57 0.00 0.00 31.44 31.16 2f05 n GLU 82 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2f05 h ALA 83 N -2.00 1.02 0.00 0.62 0.00 -1.24 -2.59 119.26 115.08 2f05 h ALA 83 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2f05 h ALA 83 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2f05 h ALA 83 CO 0.00 0.13 -0.56 1.57 0.00 0.00 0.00 179.25 180.39 2f05 h LYS 84 N 0.00 0.00 -0.03 0.00 2.10 -1.70 -3.48 116.57 113.46 2f05 h LYS 84 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2f05 h LYS 84 Cb 0.61 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 2f05 h LYS 84 CO 0.01 0.00 0.00 0.54 -2.00 0.00 0.00 179.45 178.00