#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 0.21 -1.36 1.62 3.41 -1.26 -5.17 113.62 111.07 1e91 n SER 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1e91 n SER 2 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1e91 n SER 2 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1e91 n ASP 3 N 0.00 -7.33 -4.57 4.04 8.00 -1.26 -4.83 116.55 110.60 1e91 n ASP 3 Ca 0.00 1.53 -0.42 0.00 0.71 0.00 0.00 54.79 56.62 1e91 n ASP 3 Cb 0.00 -4.20 0.01 0.00 -0.02 0.00 0.00 41.12 36.91 1e91 n ASP 3 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1e91 n SER 4 N -2.22 0.77 -0.35 -2.24 7.64 -1.26 -4.87 113.62 111.09 1e91 n SER 4 Ca 0.00 1.01 -0.01 0.00 1.01 0.00 0.00 58.87 60.88 1e91 n SER 4 Cb 0.35 -1.30 0.13 0.00 -1.01 0.00 0.00 64.21 62.38 1e91 n SER 4 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1e91 h VAL 5 N 1.36 1.16 -0.92 0.44 2.07 -2.00 -2.04 116.25 116.31 1e91 h VAL 5 Ca -0.43 -0.41 0.05 0.00 0.82 0.00 0.00 66.70 66.73 1e91 h VAL 5 Cb 1.35 -0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 1e91 h VAL 5 CO 0.56 0.22 0.60 -0.33 0.02 0.00 0.00 177.57 178.64 1e91 h GLU 6 N 1.19 1.09 0.66 1.57 5.08 -1.97 0.51 114.58 122.71 1e91 h GLU 6 Ca 0.38 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.64 1e91 h GLU 6 Cb 0.00 -0.25 0.01 0.00 0.50 0.00 0.00 28.75 29.01 1e91 h GLU 6 CO -0.12 0.72 -0.32 0.35 -1.00 0.00 0.00 179.01 178.63 1e91 h PHE 7 N 1.12 -0.84 -0.07 4.33 3.57 -1.72 0.37 116.94 123.70 1e91 h PHE 7 Ca 0.38 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.80 1e91 h PHE 7 Cb 0.08 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1e91 h PHE 7 CO -0.00 -0.52 -0.21 -0.97 -2.23 0.00 0.00 178.31 174.38 1e91 h ASN 8 N -0.90 0.12 -0.74 0.41 -1.24 -1.42 -2.02 115.58 109.80 1e91 h ASN 8 Ca -0.09 -0.03 0.06 0.00 0.71 0.00 0.00 56.30 56.95 1e91 h ASN 8 Cb 0.69 -0.03 -0.06 0.00 0.73 0.00 0.00 38.32 39.65 1e91 h ASN 8 CO 0.15 0.34 0.43 -1.13 -1.29 0.00 0.00 177.43 175.93 1e91 h ASN 9 N 0.11 0.66 -0.38 1.15 -0.73 0.56 -1.40 115.58 115.55 1e91 h ASN 9 Ca 0.02 0.03 -0.16 0.00 1.87 0.00 0.00 56.30 58.06 1e91 h ASN 9 Cb 0.45 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 38.92 1e91 h ASN 9 CO 0.03 0.42 -0.36 0.00 -0.37 0.00 0.00 177.43 177.15 1e91 h ALA 10 N 1.37 0.60 -0.81 1.57 0.00 -0.24 -3.07 119.26 118.68 1e91 h ALA 10 Ca 0.33 -0.45 0.12 0.00 0.00 0.00 0.00 54.91 54.91 1e91 h ALA 10 Cb 0.18 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 1e91 h ALA 10 CO -0.18 0.68 0.43 0.82 0.00 0.00 0.00 179.25 181.00 1e91 h ILE 11 N 0.77 0.82 -0.89 0.00 1.08 -0.73 0.03 117.51 118.59 1e91 h ILE 11 Ca 0.07 -0.23 0.11 0.00 -0.39 0.00 0.00 64.86 64.41 1e91 h ILE 11 Cb 0.96 0.08 -0.07 0.00 -3.07 0.00 0.00 36.82 34.71 1e91 h ILE 11 CO 0.09 0.12 0.58 0.28 -0.69 0.00 0.00 178.15 178.53 1e91 h SER 12 N 0.68 0.78 0.63 1.72 0.02 -1.20 0.33 113.55 116.50 1e91 h SER 12 Ca 0.42 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.36 1e91 h SER 12 Cb 0.49 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 62.90 1e91 h SER 12 CO -0.30 0.44 -0.30 0.22 -1.14 0.00 0.00 176.83 175.75 1e91 h TYR 13 N 0.85 -0.78 -0.52 3.45 3.20 -1.05 0.62 116.97 122.74 1e91 h TYR 13 Ca 0.42 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.30 1e91 h TYR 13 Cb 0.47 0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.96 1e91 h TYR 13 CO -0.00 -0.44 0.32 0.28 -1.64 0.00 0.00 178.16 176.68 1e91 h VAL 14 N -1.08 1.06 0.44 1.81 2.07 -1.13 -1.52 116.25 117.90 1e91 h VAL 14 Ca -0.09 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1e91 h VAL 14 Cb 0.69 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1e91 h VAL 14 CO 0.14 0.12 -0.21 -1.13 0.02 0.00 0.00 177.57 176.50 1e91 h ASN 15 N 0.63 -0.50 -0.91 0.57 -1.24 -0.38 -1.55 115.58 112.20 1e91 h ASN 15 Ca 0.21 -0.01 0.15 0.00 0.71 0.00 0.00 56.30 57.36 1e91 h ASN 15 Cb 0.01 0.13 -0.07 0.00 0.73 0.00 0.00 38.32 39.11 1e91 h ASN 15 CO -0.09 -0.32 0.58 0.50 -1.29 0.00 0.00 177.43 176.82 1e91 h LYS 16 N -0.65 0.67 -0.51 6.67 3.64 -0.75 0.27 116.57 125.91 1e91 h LYS 16 Ca -0.06 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.21 1e91 h LYS 16 Cb 0.48 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1e91 h LYS 16 CO 0.10 0.45 0.04 0.82 -2.27 0.00 0.00 179.45 178.59 1e91 h ILE 17 N 0.69 1.24 -0.16 2.00 2.04 -0.92 0.28 117.51 122.69 1e91 h ILE 17 Ca 0.47 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 1e91 h ILE 17 Cb 0.76 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1e91 h ILE 17 CO -0.22 0.34 0.02 0.50 0.00 0.00 0.00 178.15 178.79 1e91 h LYS 18 N 0.78 0.27 0.00 2.37 3.64 0.49 -2.10 116.57 122.01 1e91 h LYS 18 Ca 0.16 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 1e91 h LYS 18 Cb 0.41 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1e91 h LYS 18 CO 0.01 0.46 -0.38 0.00 -2.27 0.00 0.00 179.45 177.27 1e91 h THR 19 N 0.04 0.97 0.63 1.00 1.03 -0.98 -2.89 112.91 112.71 1e91 h THR 19 Ca 0.05 -1.48 -0.03 0.00 -0.01 0.00 0.00 66.41 64.94 1e91 h THR 19 Cb 0.33 1.87 0.01 0.00 -1.07 0.00 0.00 68.15 69.29 1e91 h THR 19 CO 0.00 0.38 -0.30 -0.09 -0.01 0.00 0.00 175.52 175.50 1e91 h ARG 20 N 0.00 -0.81 -1.73 0.00 9.65 -0.22 -3.21 114.38 118.06 1e91 h ARG 20 Ca -0.00 0.06 -0.58 0.00 -1.10 0.00 0.00 59.98 58.35 1e91 h ARG 20 Cb 0.84 0.18 -0.22 0.00 -1.39 0.00 0.00 29.97 29.39 1e91 h ARG 20 CO 0.05 -0.49 0.68 1.19 2.80 0.00 0.00 179.97 184.20 1e91 n PHE 21 N -5.37 2.29 -0.34 2.20 3.01 -0.81 -4.67 117.46 113.77 1e91 n PHE 21 Ca -0.12 -2.26 0.05 0.00 1.01 0.00 0.00 57.45 56.13 1e91 n PHE 21 Cb 0.36 -1.27 0.20 0.00 -0.01 0.00 0.00 39.48 38.76 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 3.06 0.88 0.00 4.37 3.38 -1.51 0.14 115.31 125.63 1e91 h LEU 22 Ca 0.47 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.47 1e91 h LEU 22 Cb 0.57 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1e91 h LEU 22 CO 1.15 0.50 -0.04 0.44 0.09 0.00 0.00 178.44 180.59 1e91 h ASP 23 N 0.98 0.00 -2.85 -0.43 5.19 -1.89 -3.37 116.42 114.05 1e91 h ASP 23 Ca 0.45 -0.00 -0.70 0.00 -0.62 0.00 0.00 57.03 56.16 1e91 h ASP 23 Cb 0.37 0.00 -0.35 0.00 0.18 0.00 0.00 39.33 39.53 1e91 h ASP 23 CO -0.24 0.00 0.02 1.41 -3.12 0.00 0.00 179.24 177.31 1e91 n HIS 24 N -2.98 3.49 -0.06 4.55 8.25 0.49 -4.89 115.22 124.07 1e91 n HIS 24 Ca 0.04 -3.69 -0.01 0.00 -0.26 0.00 0.00 57.72 53.80 1e91 n HIS 24 Cb 0.52 -1.00 0.25 0.00 1.12 0.00 0.00 29.99 30.88 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 5.27 0.66 -0.93 -0.41 0.13 -1.72 -2.84 132.00 132.16 1e91 h PRO 25 Ca 0.19 -0.13 0.19 0.00 -0.87 0.00 0.00 66.00 65.37 1e91 h PRO 25 Cb 0.71 -0.10 -0.08 0.00 0.13 0.00 0.00 31.00 31.66 1e91 h PRO 25 CO 0.99 0.63 0.60 1.05 -0.23 0.00 0.00 178.00 181.05 1e91 h GLU 26 N 0.64 0.52 -0.12 0.86 4.11 -1.90 -1.08 114.58 117.62 1e91 h GLU 26 Ca 0.14 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.53 1e91 h GLU 26 Cb 0.30 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1e91 h GLU 26 CO 0.00 0.35 0.03 0.82 0.07 0.00 0.00 179.01 180.28 1e91 h ILE 27 N 0.54 1.19 -0.04 -1.06 1.08 -1.85 -1.94 117.51 115.44 1e91 h ILE 27 Ca 0.49 -0.60 0.02 0.00 -0.39 0.00 0.00 64.86 64.39 1e91 h ILE 27 Cb 1.04 1.36 -0.03 0.00 -3.07 0.00 0.00 36.82 36.12 1e91 h ILE 27 CO -0.23 0.18 -0.10 0.22 -0.69 0.00 0.00 178.15 177.53 1e91 h TYR 28 N -0.01 -0.26 0.21 1.37 3.20 -1.31 -1.40 116.97 118.78 1e91 h TYR 28 Ca 0.04 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.92 1e91 h TYR 28 Cb 0.25 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 1e91 h TYR 28 CO 0.00 -0.16 -0.24 0.00 -1.64 0.00 0.00 178.16 176.13 1e91 h ARG 29 N -0.16 -0.48 -0.39 1.82 2.47 -1.36 -2.36 114.38 113.93 1e91 h ARG 29 Ca 0.05 0.03 0.08 0.00 -1.26 0.00 0.00 59.98 58.88 1e91 h ARG 29 Cb 0.23 0.11 -0.07 0.00 -1.65 0.00 0.00 29.97 28.59 1e91 h ARG 29 CO -0.13 -0.32 -0.06 0.77 0.56 0.00 0.00 179.97 180.79 1e91 h SER 30 N -0.50 -0.28 -0.34 7.04 0.02 -1.21 -1.11 113.55 117.17 1e91 h SER 30 Ca 0.00 0.11 0.07 0.00 -0.84 0.00 0.00 61.79 61.12 1e91 h SER 30 Cb 0.47 0.21 -0.06 0.00 0.14 0.00 0.00 62.40 63.16 1e91 h SER 30 CO -0.07 -0.10 -0.07 0.15 -1.14 0.00 0.00 176.83 175.61 1e91 h PHE 31 N 0.04 -0.15 -0.99 3.45 3.57 -1.08 0.11 116.94 121.89 1e91 h PHE 31 Ca 0.19 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.77 1e91 h PHE 31 Cb 0.28 0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.08 1e91 h PHE 31 CO -0.31 -0.13 0.65 -0.07 -2.23 0.00 0.00 178.31 176.22 1e91 h LEU 32 N 0.02 1.06 -1.37 0.59 3.38 -0.87 0.43 115.31 118.54 1e91 h LEU 32 Ca 0.16 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 1e91 h LEU 32 Cb 0.24 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1e91 h LEU 32 CO -0.33 0.70 -0.31 -0.08 0.09 0.00 0.00 178.44 178.51 1e91 h GLU 33 N 1.21 0.00 0.89 1.13 4.57 0.07 -0.88 114.58 121.57 1e91 h GLU 33 Ca 0.41 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.55 1e91 h GLU 33 Cb 0.08 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1e91 h GLU 33 CO -0.14 0.31 -0.43 0.82 -1.18 0.00 0.00 179.01 178.40 1e91 h ILE 34 N 0.00 0.05 -0.87 2.32 2.04 0.14 0.55 117.51 121.74 1e91 h ILE 34 Ca -0.00 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1e91 h ILE 34 Cb 0.57 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 1e91 h ILE 34 CO 0.04 0.00 0.56 -0.07 0.00 0.00 0.00 178.15 178.68 1e91 h LEU 35 N -1.28 1.02 -0.73 1.44 3.38 -1.42 -1.48 115.31 116.23 1e91 h LEU 35 Ca -0.12 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.82 1e91 h LEU 35 Cb 0.92 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 1e91 h LEU 35 CO 0.20 0.75 0.48 0.45 0.09 0.00 0.00 178.44 180.41 1e91 h HIS 36 N 1.19 0.91 -0.89 1.13 3.86 -0.98 -1.87 115.15 118.50 1e91 h HIS 36 Ca 0.32 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.55 1e91 h HIS 36 Cb -0.11 -0.31 -0.04 0.00 1.06 0.00 0.00 27.41 28.01 1e91 h HIS 36 CO 0.00 0.56 0.56 1.15 0.86 0.00 0.00 177.93 181.06 1e91 h THR 37 N 0.98 1.24 0.44 2.45 2.02 0.11 -2.25 112.91 117.90 1e91 h THR 37 Ca 0.27 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1e91 h THR 37 Cb -0.09 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.26 1e91 h THR 37 CO -0.07 0.24 -0.46 0.22 0.37 0.00 0.00 175.52 175.82 1e91 h TYR 38 N 1.22 -1.28 -0.93 3.16 3.20 -0.60 -2.51 116.97 119.23 1e91 h TYR 38 Ca 0.32 0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.31 1e91 h TYR 38 Cb -0.09 0.50 -0.07 0.00 1.54 0.00 0.00 36.73 38.61 1e91 h TYR 38 CO 0.00 -0.62 0.59 1.96 -1.64 0.00 0.00 178.16 178.46 1e91 h GLN 39 N -0.92 0.86 -0.90 1.82 1.08 -1.29 -2.05 115.11 113.71 1e91 h GLN 39 Ca -0.05 -0.05 0.23 0.00 -1.45 0.00 0.00 58.65 57.33 1e91 h GLN 39 Cb 0.81 -0.19 -0.13 0.00 -0.05 0.00 0.00 27.48 27.92 1e91 h GLN 39 CO -0.08 0.57 0.37 0.87 -0.95 0.00 0.00 178.83 179.62 1e91 h LYS 40 N 0.89 0.35 -0.14 1.46 1.57 -0.95 0.06 116.57 119.81 1e91 h LYS 40 Ca 0.44 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 59.13 1e91 h LYS 40 Cb 0.48 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 1e91 h LYS 40 CO -0.21 0.23 -0.21 1.49 -0.57 0.00 0.00 179.45 180.18 1e91 h GLU 41 N 0.36 0.39 -0.76 3.15 4.57 -1.33 -3.07 114.58 117.88 1e91 h GLU 41 Ca 0.57 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 58.52 1e91 h GLU 41 Cb 1.11 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 1e91 h GLU 41 CO -0.56 0.81 0.00 1.04 -1.18 0.00 0.00 179.01 179.13 1e91 n GLN 42 N -4.49 0.89 -0.00 1.92 3.00 -0.12 -4.18 117.38 114.39 1e91 n GLN 42 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 1e91 n GLN 42 Cb 0.41 -1.38 0.00 0.00 0.00 0.00 0.00 30.24 29.27 1e91 n GLN 42 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1e91 n LEU 43 N -0.02 2.68 0.00 1.08 4.77 -0.44 -4.62 117.00 120.46 1e91 n LEU 43 Ca 0.00 -1.34 0.00 0.00 -0.03 0.00 0.00 56.01 54.64 1e91 n LEU 43 Cb 0.19 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1e91 n LEU 43 CO 0.00 0.45 0.00 1.41 -1.33 0.00 0.00 177.39 177.92 1e91 n HIS 44 N 0.57 0.00 -2.77 -1.77 8.25 -1.26 -5.08 115.22 113.16 1e91 n HIS 44 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1e91 n HIS 44 Cb 0.44 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.62 1e91 n HIS 44 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1e91 n THR 45 N 0.00 0.87 -3.71 1.59 -2.24 -1.26 -5.09 114.28 104.44 1e91 n THR 45 Ca 0.00 -2.30 -0.14 0.00 -2.27 0.00 0.00 64.05 59.34 1e91 n THR 45 Cb 0.00 1.20 -0.09 0.00 -2.10 0.00 0.00 70.33 69.35 1e91 n THR 45 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1e91 s LYS 46 N -2.58 0.66 -0.12 -0.78 -0.14 -1.26 -5.06 119.74 110.45 1e91 s LYS 46 Ca 0.22 0.23 0.16 0.00 -1.36 0.00 0.00 55.97 55.22 1e91 s LYS 46 Cb 0.35 0.31 0.32 0.00 -1.68 0.00 0.00 37.83 37.13 1e91 s LYS 46 CO -0.07 -0.15 1.18 0.41 -0.76 0.00 0.00 175.35 175.96 1e91 n GLY 47 N 1.91 1.23 3.81 -3.33 0.00 -1.26 -4.79 105.19 102.76 1e91 n GLY 47 Ca -0.18 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.79 4.36 0.21 1.61 0.52 -1.26 -4.99 118.95 118.60 1e91 s ARG 48 Ca 0.18 1.16 -0.32 0.00 -0.52 0.00 0.00 55.73 56.22 1e91 s ARG 48 Cb 0.28 -2.48 -0.13 0.00 0.52 0.00 0.00 34.95 33.13 1e91 s ARG 48 CO -0.09 0.13 1.55 -0.35 0.02 0.00 0.00 175.30 176.57 1e91 n PRO 49 N -0.06 2.29 -1.09 3.54 -0.04 -1.26 -4.92 135.00 133.45 1e91 n PRO 49 Ca 0.04 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.32 1e91 n PRO 49 Cb 0.52 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 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 2.88 -0.25 1.09 0.54 7.35 -1.26 -4.98 117.46 122.84 1e91 n PHE 50 Ca 0.14 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.83 1e91 n PHE 50 Cb 0.32 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.15 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 0.00 0.56 0.00 -4.13 0.63 -1.26 -4.57 116.66 107.90 1e91 n ARG 51 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1e91 n ARG 51 Cb 0.00 -1.02 0.00 0.00 0.45 0.00 0.00 32.46 31.89 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 0.07 -0.05 3.44 5.14 0.00 -1.26 -5.11 105.19 107.43 1e91 n GLY 52 Ca 0.00 -0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 0.93 0.00 1.61 1.75 -1.26 -5.07 119.30 117.25 1e91 s MET 53 Ca 0.00 0.19 0.00 0.00 -1.25 0.00 0.00 55.69 54.63 1e91 s MET 53 Cb 0.00 0.43 0.00 0.00 2.84 0.00 0.00 34.83 38.10 1e91 s MET 53 CO 0.00 -0.27 0.00 -1.13 -0.65 0.00 0.00 175.02 172.97 1e91 n SER 54 N 1.16 2.99 0.20 1.11 3.41 -1.26 -4.91 113.62 116.33 1e91 n SER 54 Ca -0.19 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.48 1e91 n SER 54 Cb 0.57 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 0.09 -0.25 4.33 4.39 -2.00 -2.79 114.58 118.34 1e91 h GLU 55 Ca 0.00 -0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.74 1e91 h GLU 55 Cb 0.00 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.58 1e91 h GLU 55 CO 0.00 0.15 -0.07 1.05 -1.16 0.00 0.00 179.01 178.98 1e91 h GLU 56 N 0.09 -0.02 -0.01 2.33 4.11 -2.00 0.29 114.58 119.38 1e91 h GLU 56 Ca 0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.44 1e91 h GLU 56 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1e91 h GLU 56 CO 0.01 -0.01 -0.04 1.49 0.07 0.00 0.00 179.01 180.53 1e91 h GLU 57 N -0.02 0.05 -0.96 1.06 4.57 -1.93 -3.19 114.58 114.16 1e91 h GLU 57 Ca 0.12 -0.04 0.16 0.00 -1.18 0.00 0.00 59.36 58.42 1e91 h GLU 57 Cb 0.20 0.01 -0.10 0.00 -0.16 0.00 0.00 28.75 28.70 1e91 h GLU 57 CO -0.26 0.68 0.57 0.28 -1.18 0.00 0.00 179.01 179.10 1e91 h VAL 58 N -0.58 0.78 -0.96 0.32 2.07 -1.41 0.19 116.25 116.67 1e91 h VAL 58 Ca -0.00 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1e91 h VAL 58 Cb 0.68 -0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 1e91 h VAL 58 CO 0.01 0.15 0.61 0.15 0.02 0.00 0.00 177.57 178.51 1e91 h PHE 59 N 0.81 1.24 -0.08 1.57 3.57 -0.99 -1.00 116.94 122.06 1e91 h PHE 59 Ca 0.52 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.92 1e91 h PHE 59 Cb 0.70 -0.41 0.01 0.00 2.79 0.00 0.00 35.95 39.03 1e91 h PHE 59 CO -0.03 0.80 -0.41 1.15 -2.23 0.00 0.00 178.31 177.59 1e91 h THR 60 N 1.32 1.40 -0.33 4.41 2.02 -0.95 -1.35 112.91 119.43 1e91 h THR 60 Ca 0.35 -1.80 0.04 0.00 0.77 0.00 0.00 66.41 65.77 1e91 h THR 60 Cb -0.11 2.30 -0.04 0.00 -1.74 0.00 0.00 68.15 68.56 1e91 h THR 60 CO -0.07 0.53 0.12 -0.33 0.37 0.00 0.00 175.52 176.13 1e91 h GLU 61 N -0.05 0.26 -0.19 6.66 4.39 -0.51 0.34 114.58 125.47 1e91 h GLU 61 Ca -0.03 -0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.52 1e91 h GLU 61 Cb 1.07 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1e91 h GLU 61 CO 0.09 0.17 -0.42 0.28 -1.16 0.00 0.00 179.01 177.97 1e91 h VAL 62 N 0.26 1.33 -0.45 3.13 2.07 -1.27 -2.11 116.25 119.22 1e91 h VAL 62 Ca 0.15 -1.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.00 1e91 h VAL 62 Cb 0.11 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 1e91 h VAL 62 CO -0.15 0.51 0.22 0.00 0.02 0.00 0.00 177.57 178.18 1e91 h ALA 63 N 0.59 0.58 -0.68 1.67 0.00 -1.01 0.18 119.26 120.58 1e91 h ALA 63 Ca 0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1e91 h ALA 63 Cb 1.02 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1e91 h ALA 63 CO 0.09 0.13 0.21 -2.95 0.00 0.00 0.00 179.25 176.73 1e91 h ASN 64 N 0.59 1.00 0.87 0.00 7.08 -0.37 -3.12 115.58 121.64 1e91 h ASN 64 Ca 0.16 -0.21 -0.04 0.00 -3.08 0.00 0.00 56.30 53.12 1e91 h ASN 64 Cb 0.10 -0.26 0.01 0.00 -2.08 0.00 0.00 38.32 36.09 1e91 h ASN 64 CO -0.02 0.95 -0.42 -0.07 -2.08 0.00 0.00 177.43 175.79 1e91 h LEU 65 N 1.00 -0.99 -3.15 6.14 3.38 -1.06 -3.00 115.31 117.63 1e91 h LEU 65 Ca 0.22 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1e91 h LEU 65 Cb 0.31 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1e91 h LEU 65 CO -0.01 -0.69 0.00 0.49 0.09 0.00 0.00 178.44 178.33 1e91 n PHE 66 N -5.27 0.00 -1.72 1.13 3.01 0.02 -4.89 117.46 109.74 1e91 n PHE 66 Ca -0.15 -0.60 -0.42 0.00 1.01 0.00 0.00 57.45 57.30 1e91 n PHE 66 Cb 0.46 -0.38 -0.03 0.00 -0.01 0.00 0.00 39.48 39.52 1e91 n PHE 66 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1e91 s ARG 67 N 0.65 4.13 0.00 -1.08 3.52 -1.14 -1.86 118.95 123.18 1e91 s ARG 67 Ca 0.00 2.61 0.00 0.00 -0.13 0.00 0.00 55.73 58.21 1e91 s ARG 67 Cb 0.00 -3.31 0.00 0.00 -1.56 0.00 0.00 34.95 30.08 1e91 s ARG 67 CO 0.00 -0.80 0.00 0.41 -0.81 0.00 0.00 175.30 174.10 1e91 n GLY 68 N 4.10 2.25 2.29 8.12 0.00 -1.26 -4.82 105.19 115.86 1e91 n GLY 68 Ca 0.17 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.50 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 2.23 0.00 1.61 3.00 -0.77 -4.60 117.38 118.85 1e91 n GLN 69 Ca 0.00 -1.80 0.00 0.00 -0.01 0.00 0.00 57.00 55.20 1e91 n GLN 69 Cb 0.00 -2.08 0.02 0.00 0.00 0.00 0.00 30.24 28.19 1e91 n GLN 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1e91 n GLU 70 N 1.51 0.00 -0.13 -1.09 1.02 -1.24 -2.24 120.64 118.47 1e91 n GLU 70 Ca 0.46 0.41 -0.08 0.00 -0.02 0.00 0.00 57.16 57.93 1e91 n GLU 70 Cb 0.70 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.61 1e91 n GLU 70 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 1e91 h ASP 71 N 0.00 0.49 0.38 1.62 2.03 -1.91 -1.83 116.42 117.21 1e91 h ASP 71 Ca 0.00 -0.07 -0.15 0.00 -0.73 0.00 0.00 57.03 56.08 1e91 h ASP 71 Cb 0.01 -0.13 -0.01 0.00 -0.83 0.00 0.00 39.33 38.38 1e91 h ASP 71 CO 0.00 0.42 -0.62 -0.07 -1.03 0.00 0.00 179.24 177.94 1e91 h LEU 72 N 0.53 0.26 -0.81 0.15 3.38 -1.84 -3.11 115.31 113.86 1e91 h LEU 72 Ca 0.14 -0.15 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1e91 h LEU 72 Cb 0.02 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 1e91 h LEU 72 CO -0.03 0.81 0.46 0.25 0.09 0.00 0.00 178.44 180.03 1e91 h LEU 73 N 0.17 0.66 -1.01 1.67 7.12 -1.46 -0.35 115.31 122.11 1e91 h LEU 73 Ca -0.01 0.05 0.14 0.00 0.13 0.00 0.00 57.88 58.19 1e91 h LEU 73 Cb 1.12 -0.08 -0.09 0.00 -0.53 0.00 0.00 40.66 41.08 1e91 h LEU 73 CO 0.09 0.38 0.63 -1.28 -0.13 0.00 0.00 178.44 178.14 1e91 h SER 74 N 0.78 0.89 -0.43 1.25 0.87 -1.28 -0.30 113.55 115.34 1e91 h SER 74 Ca 0.39 0.06 -0.11 0.00 -1.23 0.00 0.00 61.79 60.90 1e91 h SER 74 Cb 0.35 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1e91 h SER 74 CO -0.24 0.44 -0.16 -0.33 -0.53 0.00 0.00 176.83 176.00 1e91 h GLU 75 N 0.94 0.86 -0.71 2.24 5.08 -1.20 -2.87 114.58 118.92 1e91 h GLU 75 Ca 0.52 -0.36 0.06 0.00 -1.00 0.00 0.00 59.36 58.58 1e91 h GLU 75 Cb 0.59 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.75 1e91 h GLU 75 CO -0.29 1.00 0.40 0.35 -1.00 0.00 0.00 179.01 179.47 1e91 h PHE 76 N 0.69 0.74 -0.25 4.33 3.57 -0.39 -0.95 116.94 124.67 1e91 h PHE 76 Ca 0.10 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1e91 h PHE 76 Cb 0.72 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1e91 h PHE 76 CO 0.05 0.35 0.05 0.78 -2.23 0.00 0.00 178.31 177.31 1e91 h GLY 77 N 0.73 0.38 0.64 2.40 0.00 -1.14 -2.35 103.07 103.74 1e91 h GLY 77 Ca 0.32 -0.19 0.05 0.00 0.00 0.00 0.00 47.33 47.52 1e91 h GLY 77 CO -0.19 0.18 0.14 1.46 0.00 0.00 0.00 176.54 178.13 1e91 h GLN 78 N 0.36 0.29 -0.19 4.80 1.08 -0.95 -2.81 115.11 117.68 1e91 h GLN 78 Ca 0.09 -0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 57.18 1e91 h GLN 78 Cb 0.16 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.52 1e91 h GLN 78 CO -0.00 0.19 -0.24 0.74 -0.95 0.00 0.00 178.83 178.57 1e91 h PHE 79 N 0.30 0.62 -2.33 2.96 -1.00 -1.41 -3.44 116.94 112.64 1e91 h PHE 79 Ca 0.19 -0.20 -0.57 0.00 2.81 0.00 0.00 57.97 60.20 1e91 h PHE 79 Cb 0.17 -0.12 0.04 0.00 3.61 0.00 0.00 35.95 39.65 1e91 h PHE 79 CO -0.15 0.89 0.98 1.28 -1.61 0.00 0.00 178.31 179.70 1e91 n LEU 80 N -4.40 3.55 -4.71 1.54 4.77 -0.91 -4.92 117.00 111.92 1e91 n LEU 80 Ca -0.06 1.03 -0.42 0.00 -0.03 0.00 0.00 56.01 56.53 1e91 n LEU 80 Cb 0.44 -1.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.03 1e91 n LEU 80 CO 0.42 -0.05 1.03 -2.16 -1.33 0.00 0.00 177.39 175.30 1e91 s PRO 81 N 2.16 4.34 0.16 3.23 0.04 -1.26 -4.91 135.00 138.75 1e91 s PRO 81 Ca 0.82 2.00 -0.30 0.00 0.04 0.00 0.00 61.00 63.56 1e91 s PRO 81 Cb -0.60 -3.29 -0.08 0.00 0.04 0.00 0.00 34.50 30.57 1e91 s PRO 81 CO 0.40 -0.41 1.29 -1.83 0.04 0.00 0.00 177.00 176.49 1e91 s GLU 82 N 1.18 4.40 0.00 4.56 -1.05 -1.26 -5.03 118.70 121.50 1e91 s GLU 82 Ca 0.63 1.98 0.00 0.00 -0.15 0.00 0.00 54.97 57.43 1e91 s GLU 82 Cb -0.35 -3.24 0.00 0.00 -0.44 0.00 0.00 34.13 30.10 1e91 s GLU 82 CO 0.30 -0.26 0.00 0.00 0.95 0.00 0.00 175.26 176.25 1e91 n ALA 83 N 3.08 0.00 -1.69 -0.84 0.00 -1.26 -4.93 120.51 114.86 1e91 n ALA 83 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1e91 n ALA 83 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1e91 n ALA 83 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1e91 n LYS 84 N -0.98 -4.79 0.00 0.00 5.02 -1.26 -5.33 118.16 110.81 1e91 n LYS 84 Ca 0.00 3.51 0.03 0.00 -2.02 0.00 0.00 58.31 59.83 1e91 n LYS 84 Cb 0.00 -3.91 0.15 0.00 -0.02 0.00 0.00 35.03 31.25 1e91 n LYS 84 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42