#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e91 n SER 2 N 0.00 0.00 -4.70 1.62 2.88 -1.26 -4.73 113.62 107.44 1e91 n SER 2 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 1e91 n SER 2 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1e91 n SER 2 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1e91 s ASP 3 N -4.00 6.67 0.46 -3.46 1.01 -1.26 -4.97 116.67 111.12 1e91 s ASP 3 Ca 0.00 2.43 -0.23 0.00 0.71 0.00 0.00 52.55 55.45 1e91 s ASP 3 Cb 0.00 -2.57 -0.07 0.00 1.01 0.00 0.00 42.92 41.28 1e91 s ASP 3 CO 0.00 -0.81 1.19 -0.44 0.21 0.00 0.00 175.17 175.31 1e91 s SER 4 N 1.87 6.15 0.26 0.27 0.01 -1.26 -4.93 113.70 116.08 1e91 s SER 4 Ca 0.70 2.36 -0.05 0.00 1.31 0.00 0.00 55.95 60.28 1e91 s SER 4 Cb -0.39 -2.61 0.32 0.00 0.21 0.00 0.00 66.02 63.56 1e91 s SER 4 CO 0.31 -0.94 1.93 0.58 0.41 0.00 0.00 173.24 175.53 1e91 h VAL 5 N 1.92 1.22 -0.62 3.43 2.07 -1.97 -1.34 116.25 120.96 1e91 h VAL 5 Ca -0.49 -0.44 0.07 0.00 0.82 0.00 0.00 66.70 66.66 1e91 h VAL 5 Cb 1.25 -0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1e91 h VAL 5 CO 0.60 0.23 0.41 -0.33 0.02 0.00 0.00 177.57 178.51 1e91 h GLU 6 N 1.29 0.55 0.95 1.57 5.08 -1.97 0.42 114.58 122.47 1e91 h GLU 6 Ca 0.37 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.65 1e91 h GLU 6 Cb -0.10 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.04 1e91 h GLU 6 CO -0.09 0.36 -0.46 0.35 -1.00 0.00 0.00 179.01 178.17 1e91 h PHE 7 N 0.56 -1.19 -0.11 4.33 3.57 -1.62 0.68 116.94 123.17 1e91 h PHE 7 Ca 0.27 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 1e91 h PHE 7 Cb 0.34 0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 1e91 h PHE 7 CO -0.00 -0.74 -0.03 -0.91 -2.23 0.00 0.00 178.31 174.40 1e91 h ASN 8 N -1.31 0.14 -0.70 0.41 2.35 -1.43 -1.34 115.58 113.70 1e91 h ASN 8 Ca -0.13 -0.02 0.05 0.00 -0.55 0.00 0.00 56.30 55.65 1e91 h ASN 8 Cb 0.98 -0.04 -0.05 0.00 0.05 0.00 0.00 38.32 39.26 1e91 h ASN 8 CO 0.21 0.21 0.41 -1.13 -1.65 0.00 0.00 177.43 175.48 1e91 h ASN 9 N 0.16 0.63 -0.15 5.81 -0.73 0.24 -1.69 115.58 119.85 1e91 h ASN 9 Ca 0.04 0.02 -0.20 0.00 1.87 0.00 0.00 56.30 58.03 1e91 h ASN 9 Cb 0.17 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.65 1e91 h ASN 9 CO 0.01 0.42 -0.66 0.00 -0.37 0.00 0.00 177.43 176.83 1e91 h ALA 10 N 1.34 0.44 -0.65 1.57 0.00 0.18 -3.23 119.26 118.91 1e91 h ALA 10 Ca 0.30 -0.56 0.09 0.00 0.00 0.00 0.00 54.91 54.74 1e91 h ALA 10 Cb 0.13 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 1e91 h ALA 10 CO -0.16 0.69 0.29 0.82 0.00 0.00 0.00 179.25 180.89 1e91 h ILE 11 N 0.56 0.82 -0.45 0.00 1.08 -0.63 -0.25 117.51 118.63 1e91 h ILE 11 Ca -0.02 -0.17 0.04 0.00 -0.39 0.00 0.00 64.86 64.32 1e91 h ILE 11 Cb 1.27 0.27 -0.02 0.00 -3.07 0.00 0.00 36.82 35.26 1e91 h ILE 11 CO 0.14 0.09 0.30 0.77 -0.69 0.00 0.00 178.15 178.76 1e91 h SER 12 N 0.50 0.39 0.28 1.72 4.64 -1.35 0.38 113.55 120.11 1e91 h SER 12 Ca 0.32 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.62 1e91 h SER 12 Cb 0.36 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1e91 h SER 12 CO -0.28 0.26 -0.14 0.22 -0.87 0.00 0.00 176.83 176.03 1e91 h TYR 13 N 0.44 -0.35 -0.77 4.77 3.20 -1.10 0.12 116.97 123.29 1e91 h TYR 13 Ca 0.19 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 1e91 h TYR 13 Cb 0.19 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 1e91 h TYR 13 CO -0.00 -0.12 0.26 0.28 -1.64 0.00 0.00 178.16 176.94 1e91 h VAL 14 N -0.53 1.26 -0.39 1.81 2.07 -1.03 -1.69 116.25 117.75 1e91 h VAL 14 Ca -0.04 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 1e91 h VAL 14 Cb 0.39 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1e91 h VAL 14 CO 0.06 0.35 0.20 -1.13 0.02 0.00 0.00 177.57 177.08 1e91 h ASN 15 N 1.13 0.51 -0.60 0.57 -0.73 -0.12 -1.49 115.58 114.85 1e91 h ASN 15 Ca 0.25 -0.12 -0.09 0.00 1.87 0.00 0.00 56.30 58.22 1e91 h ASN 15 Cb 0.28 -0.13 -0.02 0.00 0.27 0.00 0.00 38.32 38.72 1e91 h ASN 15 CO -0.01 0.48 0.05 0.50 -0.37 0.00 0.00 177.43 178.07 1e91 h LYS 16 N 0.50 1.04 -0.84 6.67 3.64 -0.59 -1.50 116.57 125.50 1e91 h LYS 16 Ca 0.14 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 1e91 h LYS 16 Cb 0.10 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 1e91 h LYS 16 CO -0.02 0.99 0.50 0.82 -2.27 0.00 0.00 179.45 179.47 1e91 h ILE 17 N 0.96 1.23 0.46 2.00 2.04 -1.04 0.25 117.51 123.41 1e91 h ILE 17 Ca 0.18 -0.52 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 1e91 h ILE 17 Cb 0.49 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1e91 h ILE 17 CO 0.02 0.25 -0.22 0.50 0.00 0.00 0.00 178.15 178.70 1e91 h LYS 18 N 1.15 -0.59 0.00 2.37 3.64 -1.00 -2.52 116.57 119.63 1e91 h LYS 18 Ca 0.30 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1e91 h LYS 18 Cb -0.04 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1e91 h LYS 18 CO -0.06 -0.29 -0.00 0.00 -2.27 0.00 0.00 179.45 176.83 1e91 h THR 19 N -0.89 0.92 0.37 1.00 1.03 -1.17 -2.52 112.91 111.65 1e91 h THR 19 Ca -0.06 -0.01 -0.02 0.00 -0.01 0.00 0.00 66.41 66.31 1e91 h THR 19 Cb 0.58 1.01 0.00 0.00 -1.07 0.00 0.00 68.15 68.67 1e91 h THR 19 CO 0.10 0.00 -0.18 -0.09 -0.01 0.00 0.00 175.52 175.35 1e91 h ARG 20 N 0.00 -0.48 -1.63 0.00 9.65 -0.39 -3.25 114.38 118.28 1e91 h ARG 20 Ca -0.00 0.03 -0.64 0.00 -1.10 0.00 0.00 59.98 58.27 1e91 h ARG 20 Cb 0.01 0.11 -0.25 0.00 -1.39 0.00 0.00 29.97 28.45 1e91 h ARG 20 CO 0.00 -0.17 0.82 1.19 2.80 0.00 0.00 179.97 184.61 1e91 n PHE 21 N -5.18 2.66 -0.28 2.20 3.01 -0.96 -4.70 117.46 114.21 1e91 n PHE 21 Ca -0.10 -2.44 0.06 0.00 1.01 0.00 0.00 57.45 55.98 1e91 n PHE 21 Cb 0.28 -1.28 0.20 0.00 -0.01 0.00 0.00 39.48 38.67 1e91 n PHE 21 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1e91 h LEU 22 N 2.79 0.44 -0.13 4.37 3.38 -1.50 0.17 115.31 124.83 1e91 h LEU 22 Ca 0.52 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.54 1e91 h LEU 22 Cb 0.49 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1e91 h LEU 22 CO 1.32 0.19 -0.19 -0.78 0.09 0.00 0.00 178.44 179.06 1e91 h ASP 23 N 0.56 0.00 -2.73 -0.43 3.58 -1.89 -3.37 116.42 112.15 1e91 h ASP 23 Ca 0.43 0.00 -0.71 0.00 0.42 0.00 0.00 57.03 57.17 1e91 h ASP 23 Cb 0.61 0.00 -0.35 0.00 1.72 0.00 0.00 39.33 41.31 1e91 h ASP 23 CO -0.36 0.19 0.09 1.41 -2.88 0.00 0.00 179.24 177.69 1e91 n HIS 24 N -3.16 3.22 -0.00 0.28 8.25 0.58 -4.87 115.22 119.52 1e91 n HIS 24 Ca 0.03 -3.51 -0.03 0.00 -0.26 0.00 0.00 57.72 53.96 1e91 n HIS 24 Cb 0.59 -0.98 0.22 0.00 1.12 0.00 0.00 29.99 30.95 1e91 n HIS 24 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1e91 h PRO 25 N 5.08 0.53 -0.88 -0.41 0.13 -1.70 -2.95 132.00 131.80 1e91 h PRO 25 Ca 0.19 -0.17 0.20 0.00 -0.87 0.00 0.00 66.00 65.36 1e91 h PRO 25 Cb 0.67 -0.05 -0.06 0.00 0.13 0.00 0.00 31.00 31.69 1e91 h PRO 25 CO 1.05 0.67 0.58 1.05 -0.23 0.00 0.00 178.00 181.12 1e91 h GLU 26 N 0.49 0.37 -0.35 0.86 4.11 -1.89 -0.35 114.58 117.81 1e91 h GLU 26 Ca 0.09 -0.02 -0.03 0.00 0.07 0.00 0.00 59.36 59.46 1e91 h GLU 26 Cb 0.54 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1e91 h GLU 26 CO 0.03 0.24 0.10 0.82 0.07 0.00 0.00 179.01 180.28 1e91 h ILE 27 N 0.38 1.22 -0.36 -1.06 1.08 -1.88 -2.59 117.51 114.29 1e91 h ILE 27 Ca 0.45 -0.72 0.07 0.00 -0.39 0.00 0.00 64.86 64.27 1e91 h ILE 27 Cb 1.16 1.01 -0.06 0.00 -3.07 0.00 0.00 36.82 35.86 1e91 h ILE 27 CO -0.16 0.25 -0.04 0.22 -0.69 0.00 0.00 178.15 177.72 1e91 h TYR 28 N 0.42 -0.10 0.47 1.37 3.20 -1.18 -1.35 116.97 119.79 1e91 h TYR 28 Ca 0.11 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 1e91 h TYR 28 Cb 0.28 0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.65 1e91 h TYR 28 CO 0.01 -0.11 -0.22 0.00 -1.64 0.00 0.00 178.16 176.19 1e91 h ARG 29 N 0.05 -0.61 -0.43 1.82 2.47 -1.43 -2.40 114.38 113.85 1e91 h ARG 29 Ca 0.18 0.04 0.09 0.00 -1.26 0.00 0.00 59.98 59.02 1e91 h ARG 29 Cb 0.26 0.14 -0.08 0.00 -1.65 0.00 0.00 29.97 28.64 1e91 h ARG 29 CO -0.34 -0.40 -0.10 1.03 0.56 0.00 0.00 179.97 180.72 1e91 h SER 30 N -0.63 -0.39 -0.31 7.04 0.87 -1.22 -0.29 113.55 118.62 1e91 h SER 30 Ca -0.06 0.13 0.06 0.00 -1.23 0.00 0.00 61.79 60.69 1e91 h SER 30 Cb 0.48 0.26 -0.06 0.00 -0.44 0.00 0.00 62.40 62.64 1e91 h SER 30 CO 0.11 -0.14 -0.09 0.15 -0.53 0.00 0.00 176.83 176.33 1e91 h PHE 31 N 0.00 -0.20 -0.76 2.24 3.57 -1.18 -0.71 116.94 119.91 1e91 h PHE 31 Ca 0.20 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.76 1e91 h PHE 31 Cb 0.31 0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 1e91 h PHE 31 CO -0.37 -0.15 0.50 -0.07 -2.23 0.00 0.00 178.31 175.99 1e91 h LEU 32 N -0.02 0.82 -1.22 0.59 3.38 -0.82 -0.73 115.31 117.31 1e91 h LEU 32 Ca 0.15 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1e91 h LEU 32 Cb 0.25 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1e91 h LEU 32 CO -0.33 0.58 0.20 -0.08 0.09 0.00 0.00 178.44 178.89 1e91 h GLU 33 N 0.96 0.74 0.65 1.13 4.57 0.32 0.21 114.58 123.16 1e91 h GLU 33 Ca 0.30 -0.11 -0.03 0.00 -1.18 0.00 0.00 59.36 58.33 1e91 h GLU 33 Cb -0.00 -0.13 0.01 0.00 -0.16 0.00 0.00 28.75 28.46 1e91 h GLU 33 CO -0.08 0.61 -0.31 0.82 -1.18 0.00 0.00 179.01 178.88 1e91 h ILE 34 N 0.73 0.33 -0.94 2.32 2.04 0.04 0.40 117.51 122.43 1e91 h ILE 34 Ca 0.17 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.97 1e91 h ILE 34 Cb 0.16 0.37 -0.06 0.00 -0.74 0.00 0.00 36.82 36.55 1e91 h ILE 34 CO -0.02 0.02 0.61 -0.07 0.00 0.00 0.00 178.15 178.69 1e91 h LEU 35 N -0.95 0.98 -0.87 1.44 3.38 -1.26 -1.03 115.31 117.01 1e91 h LEU 35 Ca -0.09 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1e91 h LEU 35 Cb 0.69 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1e91 h LEU 35 CO 0.15 0.64 0.43 0.45 0.09 0.00 0.00 178.44 180.20 1e91 h HIS 36 N 1.12 1.23 -0.96 1.13 3.86 -0.25 -1.87 115.15 119.41 1e91 h HIS 36 Ca 0.39 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.55 1e91 h HIS 36 Cb 0.13 -0.39 -0.05 0.00 1.06 0.00 0.00 27.41 28.16 1e91 h HIS 36 CO -0.00 0.88 0.61 1.15 0.86 0.00 0.00 177.93 181.43 1e91 h THR 37 N 1.23 1.26 0.76 2.45 2.02 0.11 0.31 112.91 121.05 1e91 h THR 37 Ca 0.30 -0.52 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 1e91 h THR 37 Cb 0.10 -0.13 0.01 0.00 -1.74 0.00 0.00 68.15 66.39 1e91 h THR 37 CO -0.04 0.26 -0.37 0.22 0.37 0.00 0.00 175.52 175.96 1e91 h TYR 38 N 1.32 -0.95 -0.64 3.16 3.20 -0.89 -3.07 116.97 119.10 1e91 h TYR 38 Ca 0.35 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.23 1e91 h TYR 38 Cb -0.10 0.31 -0.04 0.00 1.54 0.00 0.00 36.73 38.44 1e91 h TYR 38 CO 0.00 -0.59 0.39 1.96 -1.64 0.00 0.00 178.16 178.28 1e91 h GLN 39 N -1.20 0.75 -0.31 1.82 1.08 -1.30 -1.22 115.11 114.74 1e91 h GLN 39 Ca -0.10 -0.04 0.07 0.00 -1.45 0.00 0.00 58.65 57.12 1e91 h GLN 39 Cb 0.79 -0.17 -0.08 0.00 -0.05 0.00 0.00 27.48 27.97 1e91 h GLN 39 CO 0.17 0.49 -0.22 -0.22 -0.95 0.00 0.00 178.83 178.11 1e91 h LYS 40 N 0.77 -0.18 -0.20 1.46 3.64 -0.99 -2.03 116.57 119.04 1e91 h LYS 40 Ca 0.26 0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.48 1e91 h LYS 40 Cb 0.03 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1e91 h LYS 40 CO -0.11 -0.12 -0.59 1.49 -2.27 0.00 0.00 179.45 177.85 1e91 h GLU 41 N -0.19 0.64 -0.90 1.90 4.81 -1.43 -3.20 114.58 116.21 1e91 h GLU 41 Ca 0.16 -0.43 0.17 0.00 -0.13 0.00 0.00 59.36 59.13 1e91 h GLU 41 Cb 0.44 0.06 -0.10 0.00 0.63 0.00 0.00 28.75 29.77 1e91 h GLU 41 CO -0.42 1.05 0.48 0.37 -0.73 0.00 0.00 179.01 179.76 1e91 h GLN 42 N 0.48 0.60 0.00 1.92 4.15 -0.56 -3.25 115.11 118.45 1e91 h GLN 42 Ca -0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1e91 h GLN 42 Cb 1.17 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.72 1e91 h GLN 42 CO 0.12 0.40 0.00 1.28 -1.93 0.00 0.00 178.83 178.69 1e91 n LEU 43 N -4.88 0.00 -0.99 -2.39 4.77 -0.83 -4.93 117.00 107.76 1e91 n LEU 43 Ca 0.20 0.22 -0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1e91 n LEU 43 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1e91 n LEU 43 CO 0.19 0.00 0.12 0.00 -1.33 0.00 0.00 177.39 176.38 1e91 n HIS 44 N -0.22 -0.00 0.00 -1.77 1.44 -1.23 -5.08 115.22 108.36 1e91 n HIS 44 Ca 0.00 -0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1e91 n HIS 44 Cb 0.00 0.40 0.00 0.00 0.12 0.00 0.00 29.99 30.51 1e91 n HIS 44 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1e91 n THR 45 N -0.00 0.00 -2.06 0.61 -2.24 -1.24 -4.99 114.28 104.36 1e91 n THR 45 Ca -0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 1e91 n THR 45 Cb 0.37 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.62 1e91 n THR 45 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1e91 s LYS 46 N 0.00 3.28 0.00 -0.78 2.47 -1.26 -4.79 119.74 118.65 1e91 s LYS 46 Ca 0.00 1.87 0.00 0.00 -1.56 0.00 0.00 55.97 56.28 1e91 s LYS 46 Cb 0.00 -2.14 0.00 0.00 -1.46 0.00 0.00 37.83 34.23 1e91 s LYS 46 CO 0.00 -0.98 0.00 0.41 0.16 0.00 0.00 175.35 174.94 1e91 n GLY 47 N 0.50 -2.80 3.73 5.54 0.00 -1.26 -4.82 105.19 106.09 1e91 n GLY 47 Ca 0.11 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 1e91 n GLY 47 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1e91 s ARG 48 N -4.41 4.42 0.00 1.61 0.52 -1.26 -5.00 118.95 114.82 1e91 s ARG 48 Ca 0.00 1.98 0.00 0.00 -0.52 0.00 0.00 55.73 57.19 1e91 s ARG 48 Cb 0.00 -3.22 0.00 0.00 0.52 0.00 0.00 34.95 32.25 1e91 s ARG 48 CO 0.00 -0.21 0.00 -0.35 0.02 0.00 0.00 175.30 174.76 1e91 n PRO 49 N 2.76 1.46 -2.19 3.54 -0.04 -1.26 -4.83 135.00 134.43 1e91 n PRO 49 Ca 0.06 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.48 1e91 n PRO 49 Cb 0.44 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.92 1e91 n PRO 49 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1e91 n PHE 50 N -0.41 -1.06 -1.54 0.54 7.35 -1.26 -4.79 117.46 116.29 1e91 n PHE 50 Ca 0.00 0.38 0.00 0.00 -0.76 0.00 0.00 57.45 57.07 1e91 n PHE 50 Cb 0.00 -3.00 0.00 0.00 0.35 0.00 0.00 39.48 36.83 1e91 n PHE 50 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 1e91 n ARG 51 N -1.97 -2.09 0.00 -4.13 0.63 -1.26 -5.06 116.66 102.79 1e91 n ARG 51 Ca -0.02 1.82 0.00 0.00 -0.92 0.00 0.00 57.85 58.72 1e91 n ARG 51 Cb 0.54 -2.19 0.00 0.00 0.45 0.00 0.00 32.46 31.25 1e91 n ARG 51 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1e91 n GLY 52 N 0.73 0.25 3.57 5.14 0.00 -1.26 -5.10 105.19 108.53 1e91 n GLY 52 Ca 0.00 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 1e91 n GLY 52 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1e91 s MET 53 N -0.98 0.89 0.00 1.61 1.75 -1.26 -5.07 119.30 116.23 1e91 s MET 53 Ca 0.00 0.52 0.00 0.00 -1.25 0.00 0.00 55.69 54.96 1e91 s MET 53 Cb 0.00 0.42 0.00 0.00 2.84 0.00 0.00 34.83 38.09 1e91 s MET 53 CO 0.00 -0.22 0.00 -1.13 -0.65 0.00 0.00 175.02 173.02 1e91 n SER 54 N 1.58 2.39 0.23 1.11 3.41 -1.26 -4.96 113.62 116.12 1e91 n SER 54 Ca -0.16 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.52 1e91 n SER 54 Cb 0.56 0.00 0.54 0.00 -0.26 0.00 0.00 64.21 65.05 1e91 n SER 54 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1e91 h GLU 55 N 0.00 0.00 -0.51 4.33 3.07 -2.02 -2.60 114.58 116.85 1e91 h GLU 55 Ca 0.00 0.00 0.08 0.00 -0.50 0.00 0.00 59.36 58.94 1e91 h GLU 55 Cb 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 27.85 1e91 h GLU 55 CO 0.00 0.19 0.14 1.05 -1.40 0.00 0.00 179.01 178.99 1e91 h GLU 56 N 0.00 0.29 0.00 2.33 4.11 -1.99 0.12 114.58 119.44 1e91 h GLU 56 Ca -0.00 -0.02 -0.03 0.00 0.07 0.00 0.00 59.36 59.39 1e91 h GLU 56 Cb 0.36 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1e91 h GLU 56 CO 0.02 0.19 -0.16 1.49 0.07 0.00 0.00 179.01 180.63 1e91 h GLU 57 N 0.30 0.00 -0.55 1.06 4.57 -1.93 -3.25 114.58 114.79 1e91 h GLU 57 Ca 0.25 0.00 0.10 0.00 -1.18 0.00 0.00 59.36 58.53 1e91 h GLU 57 Cb 0.31 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.82 1e91 h GLU 57 CO -0.29 0.77 0.09 0.28 -1.18 0.00 0.00 179.01 178.68 1e91 h VAL 58 N -1.00 0.66 -0.54 0.32 2.07 -1.46 0.26 116.25 116.55 1e91 h VAL 58 Ca -0.04 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.41 1e91 h VAL 58 Cb 0.82 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1e91 h VAL 58 CO -0.02 0.04 0.36 0.15 0.02 0.00 0.00 177.57 178.12 1e91 h PHE 59 N 0.22 0.68 0.06 1.57 3.57 -1.13 -0.67 116.94 121.24 1e91 h PHE 59 Ca 0.28 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.79 1e91 h PHE 59 Cb 0.41 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.92 1e91 h PHE 59 CO -0.26 0.42 -0.03 1.15 -2.23 0.00 0.00 178.31 177.37 1e91 h THR 60 N 0.73 1.17 -0.67 4.41 2.02 -1.01 -2.07 112.91 117.49 1e91 h THR 60 Ca 0.20 -1.52 0.05 0.00 0.77 0.00 0.00 66.41 65.91 1e91 h THR 60 Cb -0.07 2.06 -0.05 0.00 -1.74 0.00 0.00 68.15 68.35 1e91 h THR 60 CO -0.04 0.34 0.38 -0.08 0.37 0.00 0.00 175.52 176.48 1e91 h GLU 61 N -0.85 0.69 -0.33 6.66 4.57 -0.49 0.19 114.58 125.00 1e91 h GLU 61 Ca -0.01 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.09 1e91 h GLU 61 Cb 0.62 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 1e91 h GLU 61 CO 0.01 0.45 0.07 0.28 -1.18 0.00 0.00 179.01 178.65 1e91 h VAL 62 N 0.71 1.23 -0.91 0.32 2.07 -1.23 -2.18 116.25 116.25 1e91 h VAL 62 Ca 0.29 -0.78 0.03 0.00 0.82 0.00 0.00 66.70 67.06 1e91 h VAL 62 Cb 0.16 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 1e91 h VAL 62 CO -0.17 0.26 0.59 0.00 0.02 0.00 0.00 177.57 178.27 1e91 h ALA 63 N 0.91 1.19 -1.00 1.67 0.00 -0.71 0.14 119.26 121.46 1e91 h ALA 63 Ca 0.10 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1e91 h ALA 63 Cb 0.32 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 1e91 h ALA 63 CO 0.00 0.47 0.66 -0.91 0.00 0.00 0.00 179.25 179.47 1e91 h ASN 64 N 1.16 1.11 0.45 0.00 2.35 -0.39 -2.36 115.58 117.90 1e91 h ASN 64 Ca 0.36 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 56.07 1e91 h ASN 64 Cb -0.03 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.09 1e91 h ASN 64 CO -0.11 0.77 -0.22 -0.07 -1.65 0.00 0.00 177.43 176.15 1e91 h LEU 65 N 1.29 -0.51 -3.10 1.61 3.38 -0.62 -3.24 115.31 114.11 1e91 h LEU 65 Ca 0.39 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1e91 h LEU 65 Cb -0.04 0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1e91 h LEU 65 CO -0.11 -0.18 0.00 0.49 0.09 0.00 0.00 178.44 178.73 1e91 n PHE 66 N -4.66 0.00 -1.72 1.13 3.01 0.37 -4.90 117.46 110.68 1e91 n PHE 66 Ca -0.08 -0.63 -0.43 0.00 1.01 0.00 0.00 57.45 57.33 1e91 n PHE 66 Cb 0.24 -0.39 -0.02 0.00 -0.01 0.00 0.00 39.48 39.30 1e91 n PHE 66 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1e91 n ARG 67 N 1.49 2.57 0.00 -1.08 0.63 -0.90 -1.77 116.66 117.61 1e91 n ARG 67 Ca 0.00 0.92 0.00 0.00 -0.92 0.00 0.00 57.85 57.85 1e91 n ARG 67 Cb 0.34 -2.69 0.00 0.00 0.45 0.00 0.00 32.46 30.56 1e91 n ARG 67 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1e91 n GLY 68 N 2.58 1.46 2.13 5.14 0.00 -1.26 -4.80 105.19 110.43 1e91 n GLY 68 Ca 0.11 -0.15 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 1e91 n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1e91 n GLN 69 N 0.00 2.14 0.18 1.61 3.00 -0.73 -4.57 117.38 119.02 1e91 n GLN 69 Ca 0.00 -1.15 0.11 0.00 -0.01 0.00 0.00 57.00 55.95 1e91 n GLN 69 Cb 0.00 -2.12 0.61 0.00 0.00 0.00 0.00 30.24 28.72 1e91 n GLN 69 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1e91 h GLU 70 N 3.77 0.00 -0.94 -1.09 5.08 -1.87 -2.05 114.58 117.48 1e91 h GLU 70 Ca 0.31 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.67 1e91 h GLU 70 Cb 1.11 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.31 1e91 h GLU 70 CO 0.59 0.00 0.56 0.38 -1.00 0.00 0.00 179.01 179.55 1e91 h ASP 71 N 0.00 1.13 -0.22 1.42 3.04 -1.92 -1.22 116.42 118.65 1e91 h ASP 71 Ca 0.00 -0.07 -0.19 0.00 -3.24 0.00 0.00 57.03 53.53 1e91 h ASP 71 Cb 0.10 -0.29 0.00 0.00 -1.04 0.00 0.00 39.33 38.10 1e91 h ASP 71 CO 0.00 0.87 -0.59 -0.07 -2.04 0.00 0.00 179.24 177.41 1e91 h LEU 72 N 1.30 0.90 -1.64 0.15 3.38 -1.75 -3.09 115.31 114.57 1e91 h LEU 72 Ca 0.34 -0.57 0.07 0.00 0.09 0.00 0.00 57.88 57.80 1e91 h LEU 72 Cb -0.05 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 1e91 h LEU 72 CO -0.06 1.31 0.35 -0.07 0.09 0.00 0.00 178.44 180.07 1e91 h LEU 73 N 0.54 0.38 -0.97 1.67 -0.00 -1.51 -0.83 115.31 114.59 1e91 h LEU 73 Ca -0.01 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.92 1e91 h LEU 73 Cb 1.21 -0.08 -0.06 0.00 -0.00 0.00 0.00 40.66 41.73 1e91 h LEU 73 CO 0.13 0.25 0.63 -1.28 -0.00 0.00 0.00 178.44 178.16 1e91 h SER 74 N 0.44 1.03 -0.11 -0.43 0.87 -1.14 0.74 113.55 114.94 1e91 h SER 74 Ca 0.23 -0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.68 1e91 h SER 74 Cb 0.36 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1e91 h SER 74 CO -0.06 0.69 -0.36 -0.33 -0.53 0.00 0.00 176.83 176.23 1e91 h GLU 75 N 1.18 0.44 -0.97 2.24 5.08 -1.27 -2.98 114.58 118.30 1e91 h GLU 75 Ca 0.40 -0.33 0.07 0.00 -1.00 0.00 0.00 59.36 58.49 1e91 h GLU 75 Cb 0.06 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.31 1e91 h GLU 75 CO -0.14 0.95 0.62 0.35 -1.00 0.00 0.00 179.01 179.79 1e91 h PHE 76 N 0.02 1.15 -0.25 4.33 3.57 -0.90 -1.90 116.94 122.97 1e91 h PHE 76 Ca -0.01 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.43 1e91 h PHE 76 Cb 0.99 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1e91 h PHE 76 CO 0.11 0.59 -0.20 0.78 -2.23 0.00 0.00 178.31 177.37 1e91 h GLY 77 N 1.13 0.48 -0.03 2.40 0.00 -0.87 -2.95 103.07 103.22 1e91 h GLY 77 Ca 0.42 -0.36 0.09 0.00 0.00 0.00 0.00 47.33 47.48 1e91 h GLY 77 CO -0.17 0.33 -0.20 1.46 0.00 0.00 0.00 176.54 177.96 1e91 h GLN 78 N 0.41 -0.11 -0.22 4.80 4.20 -1.18 -2.25 115.11 120.76 1e91 h GLN 78 Ca 0.07 0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.71 1e91 h GLN 78 Cb 0.58 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 1e91 h GLN 78 CO 0.04 -0.07 -0.17 0.74 -0.67 0.00 0.00 178.83 178.69 1e91 h PHE 79 N -0.11 0.59 -3.43 2.96 -1.00 -1.61 -3.44 116.94 110.89 1e91 h PHE 79 Ca 0.21 -0.17 -0.53 0.00 2.81 0.00 0.00 57.97 60.29 1e91 h PHE 79 Cb 0.44 -0.13 0.07 0.00 3.61 0.00 0.00 35.95 39.94 1e91 h PHE 79 CO -0.45 0.82 0.81 -0.51 -1.61 0.00 0.00 178.31 177.37 1e91 s LEU 80 N -9.11 4.36 -1.33 1.54 1.43 -0.85 -4.88 118.68 109.85 1e91 s LEU 80 Ca -0.13 2.83 -0.09 0.00 -1.03 0.00 0.00 54.13 55.71 1e91 s LEU 80 Cb 0.07 -3.63 -0.10 0.00 0.03 0.00 0.00 46.19 42.55 1e91 s LEU 80 CO 0.78 -0.80 2.87 -0.81 0.23 0.00 0.00 176.35 178.62 1e91 n PRO 81 N 2.02 3.22 -1.59 1.29 -0.04 -1.26 -4.87 135.00 133.77 1e91 n PRO 81 Ca 0.06 -1.93 -0.50 0.00 -0.04 0.00 0.00 63.50 61.10 1e91 n PRO 81 Cb 0.39 -2.65 -0.05 0.00 -0.04 0.00 0.00 33.50 31.15 1e91 n PRO 81 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1e91 n GLU 82 N 3.57 1.24 -0.07 0.54 0.00 -1.26 -4.90 120.64 119.76 1e91 n GLU 82 Ca 0.69 0.45 -0.15 0.00 0.00 0.00 0.00 57.16 58.14 1e91 n GLU 82 Cb 0.28 -2.03 -0.05 0.00 0.00 0.00 0.00 31.44 29.64 1e91 n GLU 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1e91 n ALA 83 N 2.09 2.04 -3.53 -1.84 0.00 -1.26 -5.06 120.51 112.95 1e91 n ALA 83 Ca 0.17 -0.57 -0.11 0.00 0.00 0.00 0.00 53.44 52.92 1e91 n ALA 83 Cb 0.23 0.30 -0.10 0.00 0.00 0.00 0.00 19.45 19.88 1e91 n ALA 83 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1e91 s LYS 84 N -2.26 0.48 0.00 0.00 -0.14 -1.26 -5.35 119.74 111.20 1e91 s LYS 84 Ca -0.20 0.75 0.12 0.00 -1.36 0.00 0.00 55.97 55.28 1e91 s LYS 84 Cb 0.08 0.12 0.74 0.00 -1.68 0.00 0.00 37.83 37.08 1e91 s LYS 84 CO 0.26 -0.11 1.17 0.54 -0.76 0.00 0.00 175.35 176.44