#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e91 h SER 2 N 0.00 0.91 0.00 1.62 0.87 -2.08 -3.38 113.55 111.49 1e91 h SER 2 Ca 0.00 -0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 60.40 1e91 h SER 2 Cb 0.00 -0.22 -0.11 0.00 -0.44 0.00 0.00 62.40 61.63 1e91 h SER 2 CO 0.00 0.64 -0.13 -0.90 -0.53 0.00 0.00 176.83 175.91 1e91 n ASP 3 N -4.43 -1.35 -4.47 6.23 5.68 -1.26 -5.12 116.55 111.83 1e91 n ASP 3 Ca 0.10 -1.98 -0.32 0.00 -0.50 0.00 0.00 54.79 52.08 1e91 n ASP 3 Cb 0.07 0.82 0.13 0.00 -1.14 0.00 0.00 41.12 41.00 1e91 n ASP 3 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1e91 n SER 4 N -0.70 -1.58 -0.14 -1.12 2.88 -1.26 -4.79 113.62 106.91 1e91 n SER 4 Ca -0.13 0.33 0.15 0.00 -1.33 0.00 0.00 58.87 57.89 1e91 n SER 4 Cb 0.75 -1.26 0.51 0.00 -0.75 0.00 0.00 64.21 63.46 1e91 n SER 4 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1e91 h VAL 5 N -1.67 0.81 -0.85 2.46 2.07 -2.00 0.47 116.25 117.54 1e91 h VAL 5 Ca -0.44 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 66.99 1e91 h VAL 5 Cb 1.28 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 1e91 h VAL 5 CO 0.36 0.07 0.56 -0.33 0.02 0.00 0.00 177.57 178.25 1e91 h GLU 6 N 0.40 1.00 0.83 1.57 5.08 -1.97 0.53 114.58 122.03 1e91 h GLU 6 Ca 0.35 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.61 1e91 h GLU 6 Cb 0.79 -0.23 0.01 0.00 0.50 0.00 0.00 28.75 29.82 1e91 h GLU 6 CO -0.11 0.66 -0.42 0.35 -1.00 0.00 0.00 179.01 178.50 1e91 h PHE 7 N 1.03 -1.09 0.00 4.33 3.57 -1.21 0.68 116.94 124.25 1e91 h PHE 7 Ca 0.35 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.78 1e91 h PHE 7 Cb 0.07 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1e91 h PHE 7 CO -0.00 -0.66 -0.20 -0.91 -2.23 0.00 0.00 178.31 174.31 1e91 h ASN 8 N -1.14 0.00 -0.78 0.41 2.35 -1.50 -1.74 115.58 113.19 1e91 h ASN 8 Ca -0.11 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.65 1e91 h ASN 8 Cb 0.88 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.21 1e91 h ASN 8 CO 0.17 0.20 0.51 -1.13 -1.65 0.00 0.00 177.43 175.53 1e91 h ASN 9 N 0.00 0.87 -0.13 5.81 -0.73 0.64 -0.50 115.58 121.55 1e91 h ASN 9 Ca -0.00 -0.02 -0.09 0.00 1.87 0.00 0.00 56.30 58.06 1e91 h ASN 9 Cb 0.39 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 38.76 1e91 h ASN 9 CO 0.03 0.63 -0.26 0.00 -0.37 0.00 0.00 177.43 177.45 1e91 h ALA 10 N 1.29 0.20 -0.76 1.57 0.00 -0.04 -3.11 119.26 118.41 1e91 h ALA 10 Ca 0.29 -0.39 0.10 0.00 0.00 0.00 0.00 54.91 54.90 1e91 h ALA 10 Cb -0.09 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.59 1e91 h ALA 10 CO -0.07 0.19 0.40 0.82 0.00 0.00 0.00 179.25 180.59 1e91 h ILE 11 N -0.01 0.86 -0.70 0.00 1.08 -1.04 -0.16 117.51 117.54 1e91 h ILE 11 Ca 0.00 -0.23 0.04 0.00 -0.39 0.00 0.00 64.86 64.29 1e91 h ILE 11 Cb 0.85 0.13 -0.04 0.00 -3.07 0.00 0.00 36.82 34.69 1e91 h ILE 11 CO 0.06 0.12 0.46 0.28 -0.69 0.00 0.00 178.15 178.38 1e91 h SER 12 N 0.67 0.70 0.31 1.72 0.02 -1.10 0.39 113.55 116.26 1e91 h SER 12 Ca 0.38 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.31 1e91 h SER 12 Cb 0.39 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1e91 h SER 12 CO -0.27 0.47 -0.15 0.22 -1.14 0.00 0.00 176.83 175.96 1e91 h TYR 13 N 0.80 -0.39 -0.69 3.45 3.20 -0.96 -1.11 116.97 121.27 1e91 h TYR 13 Ca 0.29 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 1e91 h TYR 13 Cb 0.12 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 1e91 h TYR 13 CO -0.00 -0.12 0.39 0.28 -1.64 0.00 0.00 178.16 177.07 1e91 h VAL 14 N -0.60 1.21 0.62 1.81 2.07 -1.11 -1.98 116.25 118.27 1e91 h VAL 14 Ca -0.04 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 1e91 h VAL 14 Cb 0.44 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1e91 h VAL 14 CO 0.07 0.23 -0.38 -1.13 0.02 0.00 0.00 177.57 176.38 1e91 h ASN 15 N 0.95 -0.94 -1.00 0.57 -0.73 -0.88 -1.32 115.58 112.23 1e91 h ASN 15 Ca 0.25 0.05 0.15 0.00 1.87 0.00 0.00 56.30 58.62 1e91 h ASN 15 Cb 0.02 0.27 -0.10 0.00 0.27 0.00 0.00 38.32 38.78 1e91 h ASN 15 CO -0.04 -0.59 0.62 0.50 -0.37 0.00 0.00 177.43 177.55 1e91 h LYS 16 N -0.94 0.86 -0.80 6.67 3.64 -1.13 0.10 116.57 124.97 1e91 h LYS 16 Ca -0.08 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 1e91 h LYS 16 Cb 0.76 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.35 1e91 h LYS 16 CO 0.08 0.57 0.42 0.82 -2.27 0.00 0.00 179.45 179.07 1e91 h ILE 17 N 0.89 1.24 0.40 2.00 2.04 -1.00 0.21 117.51 123.29 1e91 h ILE 17 Ca 0.54 -0.64 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1e91 h ILE 17 Cb 0.68 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1e91 h ILE 17 CO -0.32 0.28 -0.19 0.50 0.00 0.00 0.00 178.15 178.41 1e91 h LYS 18 N 1.12 -0.52 -0.09 2.37 3.64 0.28 -2.33 116.57 121.04 1e91 h LYS 18 Ca 0.28 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1e91 h LYS 18 Cb 0.07 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1e91 h LYS 18 CO -0.04 -0.22 0.04 0.00 -2.27 0.00 0.00 179.45 176.95 1e91 h THR 19 N -0.80 1.04 0.46 1.00 1.03 -0.94 -2.47 112.91 112.22 1e91 h THR 19 Ca -0.06 -0.11 -0.02 0.00 -0.01 0.00 0.00 66.41 66.21 1e91 h THR 19 Cb 0.54 0.93 0.00 0.00 -1.07 0.00 0.00 68.15 68.55 1e91 h THR 19 CO 0.09 0.04 -0.22 -0.09 -0.01 0.00 0.00 175.52 175.33 1e91 h ARG 20 N 0.12 -0.59 -1.35 0.00 9.65 -0.47 -3.22 114.38 118.52 1e91 h ARG 20 Ca 0.03 0.04 -0.45 0.00 -1.10 0.00 0.00 59.98 58.50 1e91 h ARG 20 Cb 0.02 0.13 -0.19 0.00 -1.39 0.00 0.00 29.97 28.54 1e91 h ARG 20 CO -0.00 -0.29 0.58 1.19 2.80 0.00 0.00 179.97 184.25 1e91 n PHE 21 N -5.24 2.15 -0.17 2.20 3.01 -0.89 -4.59 117.46 113.93 1e91 n PHE 21 Ca -0.10 -2.35 0.12 0.00 1.01 0.00 0.00 57.45 56.13 1e91 n PHE 21 Cb 0.30 -1.14 0.45 0.00 -0.01 0.00 0.00 39.48 39.08 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 2.36 0.49 -0.07 4.37 3.38 -1.46 -0.92 115.31 123.45 1e91 h LEU 22 Ca 0.41 0.02 -0.25 0.00 0.09 0.00 0.00 57.88 58.14 1e91 h LEU 22 Cb 0.87 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 41.55 1e91 h LEU 22 CO 1.06 0.27 -0.98 -0.78 0.09 0.00 0.00 178.44 178.11 1e91 h ASP 23 N 0.53 0.85 -3.32 -0.43 1.82 -1.89 -3.37 116.42 110.60 1e91 h ASP 23 Ca 0.35 -0.65 -0.75 0.00 -0.39 0.00 0.00 57.03 55.59 1e91 h ASP 23 Cb 0.64 -0.26 -0.32 0.00 0.68 0.00 0.00 39.33 40.08 1e91 h ASP 23 CO -0.12 1.45 0.21 1.41 -1.61 0.00 0.00 179.24 180.58 1e91 n HIS 24 N -3.85 4.43 -0.04 0.28 8.25 -0.36 -4.89 115.22 119.04 1e91 n HIS 24 Ca -0.10 -3.88 0.03 0.00 -0.26 0.00 0.00 57.72 53.52 1e91 n HIS 24 Cb 0.85 -1.36 0.38 0.00 1.12 0.00 0.00 29.99 30.98 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 6.11 0.62 -0.90 -0.41 0.13 -1.72 -2.43 132.00 133.40 1e91 h PRO 25 Ca 0.18 -0.04 0.26 0.00 -0.87 0.00 0.00 66.00 65.52 1e91 h PRO 25 Cb 0.81 -0.14 -0.04 0.00 0.13 0.00 0.00 31.00 31.76 1e91 h PRO 25 CO 0.98 0.43 0.65 1.05 -0.23 0.00 0.00 178.00 180.87 1e91 h GLU 26 N 0.64 0.03 -0.32 0.86 4.11 -1.90 -0.04 114.58 117.96 1e91 h GLU 26 Ca 0.17 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.57 1e91 h GLU 26 Cb -0.05 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1e91 h GLU 26 CO -0.03 0.02 0.10 0.82 0.07 0.00 0.00 179.01 179.99 1e91 h ILE 27 N 0.03 1.20 -0.41 -1.06 1.08 -1.78 -2.76 117.51 113.82 1e91 h ILE 27 Ca 0.43 -0.65 0.06 0.00 -0.39 0.00 0.00 64.86 64.31 1e91 h ILE 27 Cb 1.68 1.02 -0.06 0.00 -3.07 0.00 0.00 36.82 36.40 1e91 h ILE 27 CO -0.02 0.22 0.08 0.22 -0.69 0.00 0.00 178.15 177.96 1e91 h TYR 28 N 0.37 0.12 -0.11 1.37 3.20 -1.15 -2.15 116.97 118.62 1e91 h TYR 28 Ca 0.10 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.04 1e91 h TYR 28 Cb 0.24 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 1e91 h TYR 28 CO 0.01 0.01 -0.15 0.00 -1.64 0.00 0.00 178.16 176.39 1e91 h ARG 29 N 0.20 -0.18 0.23 1.82 2.47 -1.43 -2.45 114.38 115.04 1e91 h ARG 29 Ca 0.20 0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.94 1e91 h ARG 29 Cb 0.24 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.57 1e91 h ARG 29 CO -0.26 -0.12 -0.37 1.03 0.56 0.00 0.00 179.97 180.80 1e91 h SER 30 N -0.19 -1.05 -0.53 7.04 0.87 -1.17 0.28 113.55 118.80 1e91 h SER 30 Ca 0.09 0.11 0.11 0.00 -1.23 0.00 0.00 61.79 60.86 1e91 h SER 30 Cb 0.31 0.38 -0.10 0.00 -0.44 0.00 0.00 62.40 62.55 1e91 h SER 30 CO -0.22 -0.48 -0.17 0.15 -0.53 0.00 0.00 176.83 175.58 1e91 h PHE 31 N -0.67 -0.39 -0.94 2.24 3.57 -1.30 0.12 116.94 119.57 1e91 h PHE 31 Ca 0.00 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1e91 h PHE 31 Cb 0.66 0.26 -0.05 0.00 2.79 0.00 0.00 35.95 39.61 1e91 h PHE 31 CO -0.28 -0.26 0.56 -0.07 -2.23 0.00 0.00 178.31 176.03 1e91 h LEU 32 N -0.04 1.14 -1.56 0.59 3.38 -1.17 -1.28 115.31 116.36 1e91 h LEU 32 Ca 0.25 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1e91 h LEU 32 Cb 0.43 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1e91 h LEU 32 CO -0.57 0.88 -0.08 -0.08 0.09 0.00 0.00 178.44 178.68 1e91 h GLU 33 N 1.30 0.17 0.80 1.13 4.81 0.12 0.13 114.58 123.05 1e91 h GLU 33 Ca 0.34 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.50 1e91 h GLU 33 Cb -0.04 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.32 1e91 h GLU 33 CO -0.06 0.27 -0.38 0.82 -0.73 0.00 0.00 179.01 178.93 1e91 h ILE 34 N 0.17 0.00 -0.92 2.32 2.04 0.33 0.55 117.51 122.00 1e91 h ILE 34 Ca 0.04 -0.19 0.10 0.00 1.00 0.00 0.00 64.86 65.81 1e91 h ILE 34 Cb 0.26 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.28 1e91 h ILE 34 CO 0.01 0.00 0.59 -0.07 0.00 0.00 0.00 178.15 178.68 1e91 h LEU 35 N -1.26 0.84 -0.28 1.44 3.38 -1.36 -1.12 115.31 116.96 1e91 h LEU 35 Ca -0.11 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1e91 h LEU 35 Cb 0.82 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1e91 h LEU 35 CO 0.18 0.49 0.12 0.45 0.09 0.00 0.00 178.44 179.77 1e91 h HIS 36 N 0.92 0.42 -1.00 1.13 3.86 -0.81 -2.65 115.15 117.02 1e91 h HIS 36 Ca 0.43 -0.03 0.19 0.00 -1.16 0.00 0.00 60.37 59.80 1e91 h HIS 36 Cb 0.40 -0.13 -0.11 0.00 1.06 0.00 0.00 27.41 28.64 1e91 h HIS 36 CO -0.00 0.40 0.60 1.15 0.86 0.00 0.00 177.93 180.94 1e91 h THR 37 N 0.31 0.69 -0.41 2.45 2.02 0.14 0.52 112.91 118.63 1e91 h THR 37 Ca 0.10 -0.25 0.08 0.00 0.77 0.00 0.00 66.41 67.11 1e91 h THR 37 Cb 0.15 -0.12 -0.08 0.00 -1.74 0.00 0.00 68.15 66.36 1e91 h THR 37 CO -0.01 0.14 -0.14 0.22 0.37 0.00 0.00 175.52 176.10 1e91 h TYR 38 N 0.74 -0.32 -0.82 3.16 3.20 -1.08 -0.80 116.97 121.06 1e91 h TYR 38 Ca 0.58 0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.53 1e91 h TYR 38 Cb 0.92 0.20 -0.05 0.00 1.54 0.00 0.00 36.73 39.34 1e91 h TYR 38 CO -0.01 -0.22 0.52 1.96 -1.64 0.00 0.00 178.16 178.77 1e91 h GLN 39 N -0.05 0.96 -0.14 1.82 1.08 -0.91 -2.72 115.11 115.16 1e91 h GLN 39 Ca 0.20 -0.06 0.03 0.00 -1.45 0.00 0.00 58.65 57.37 1e91 h GLN 39 Cb 0.35 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 27.54 1e91 h GLN 39 CO -0.45 0.64 -0.03 0.87 -0.95 0.00 0.00 178.83 178.91 1e91 h LYS 40 N 0.99 0.01 -2.00 1.46 1.57 -0.71 -2.66 116.57 115.23 1e91 h LYS 40 Ca 0.33 -0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.96 1e91 h LYS 40 Cb 0.05 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.30 1e91 h LYS 40 CO -0.13 0.00 -0.28 0.39 -0.57 0.00 0.00 179.45 178.87 1e91 n GLU 41 N -5.16 1.79 0.00 3.15 -0.58 -0.70 -3.53 120.64 115.60 1e91 n GLU 41 Ca -0.04 -0.82 0.00 0.00 -0.42 0.00 0.00 57.16 55.88 1e91 n GLU 41 Cb 0.09 -1.78 0.00 0.00 -0.57 0.00 0.00 31.44 29.18 1e91 n GLU 41 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1e91 n GLN 42 N 2.22 0.00 0.00 3.49 7.27 -1.00 -4.19 117.38 125.16 1e91 n GLN 42 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.41 1e91 n GLN 42 Cb 0.82 -0.13 0.00 0.00 2.41 0.00 0.00 30.24 33.34 1e91 n GLN 42 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1e91 n LEU 43 N -2.21 0.00 -2.02 1.69 4.77 -1.22 -4.80 117.00 113.21 1e91 n LEU 43 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1e91 n LEU 43 Cb 0.00 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1e91 n LEU 43 CO 0.00 0.00 0.08 1.41 -1.33 0.00 0.00 177.39 177.55 1e91 n HIS 44 N 0.00 -1.14 -0.91 -1.77 8.25 -1.26 -4.77 115.22 113.61 1e91 n HIS 44 Ca 0.00 0.45 0.00 0.00 -0.26 0.00 0.00 57.72 57.91 1e91 n HIS 44 Cb 0.00 -3.16 0.00 0.00 1.12 0.00 0.00 29.99 27.95 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 -2.97 0.00 -1.65 1.59 -2.24 -1.26 -4.60 114.28 103.14 1e91 n THR 45 Ca -0.07 0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.25 1e91 n THR 45 Cb 0.56 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.76 1e91 n THR 45 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1e91 n LYS 46 N 14.00 1.84 -1.08 -0.78 4.01 -1.26 -4.82 118.16 130.06 1e91 n LYS 46 Ca 0.00 0.66 -0.30 0.00 -0.51 0.00 0.00 58.31 58.16 1e91 n LYS 46 Cb 0.00 -2.27 -0.05 0.00 -0.51 0.00 0.00 35.03 32.20 1e91 n LYS 46 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1e91 n GLY 47 N 2.07 3.70 3.70 0.72 0.00 -1.26 -4.95 105.19 109.16 1e91 n GLY 47 Ca 0.12 -1.25 -0.43 0.00 0.00 0.00 0.00 46.02 44.46 1e91 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1e91 n ARG 48 N 3.58 2.15 -1.87 1.61 1.74 -1.26 -4.90 116.66 117.71 1e91 n ARG 48 Ca 0.63 0.76 -0.42 0.00 -0.77 0.00 0.00 57.85 58.05 1e91 n ARG 48 Cb 0.30 -2.38 -0.03 0.00 -1.02 0.00 0.00 32.46 29.33 1e91 n ARG 48 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1e91 s PRO 49 N -1.40 4.19 -0.30 5.56 0.04 -1.26 -4.87 135.00 136.95 1e91 s PRO 49 Ca 0.59 2.44 0.01 0.00 0.04 0.00 0.00 61.00 64.09 1e91 s PRO 49 Cb -0.58 -3.11 0.07 0.00 0.04 0.00 0.00 34.50 30.92 1e91 s PRO 49 CO 0.58 -0.61 1.09 0.34 0.04 0.00 0.00 177.00 178.43 1e91 n PHE 50 N 3.41 -0.11 -3.52 0.56 7.35 -1.26 -5.01 117.46 118.89 1e91 n PHE 50 Ca 0.12 -0.56 -0.25 0.00 -0.76 0.00 0.00 57.45 55.99 1e91 n PHE 50 Cb 0.38 1.12 0.05 0.00 0.35 0.00 0.00 39.48 41.38 1e91 n PHE 50 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1e91 n ARG 51 N -0.34 -1.59 0.00 -4.13 5.12 -1.26 -5.00 116.66 109.46 1e91 n ARG 51 Ca -0.27 0.61 0.00 0.00 -1.93 0.00 0.00 57.85 56.26 1e91 n ARG 51 Cb 0.64 -4.75 0.00 0.00 -1.16 0.00 0.00 32.46 27.20 1e91 n ARG 51 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1e91 n GLY 52 N -1.52 -2.52 3.56 -0.13 0.00 -1.26 -5.10 105.19 98.22 1e91 n GLY 52 Ca -0.08 -0.67 -0.06 0.00 0.00 0.00 0.00 46.02 45.21 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 0.61 0.00 1.61 1.75 -1.26 -5.04 119.30 116.97 1e91 s MET 53 Ca 0.00 -0.24 0.00 0.00 -1.25 0.00 0.00 55.69 54.20 1e91 s MET 53 Cb 0.00 0.27 0.00 0.00 2.84 0.00 0.00 34.83 37.94 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 -0.20 0.05 -0.01 1.11 3.41 -1.26 -4.90 113.62 111.82 1e91 n SER 54 Ca -0.05 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.49 1e91 n SER 54 Cb 0.60 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.65 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 0.57 -0.47 4.33 5.08 -2.00 -3.13 114.58 118.97 1e91 h GLU 55 Ca 0.00 -0.29 0.08 0.00 -1.00 0.00 0.00 59.36 58.15 1e91 h GLU 55 Cb 0.00 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.19 1e91 h GLU 55 CO 0.00 0.88 0.09 1.05 -1.00 0.00 0.00 179.01 180.03 1e91 h GLU 56 N 0.47 0.21 -0.08 2.33 4.11 -2.00 -0.98 114.58 118.65 1e91 h GLU 56 Ca 0.04 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.45 1e91 h GLU 56 Cb 0.91 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 1e91 h GLU 56 CO 0.08 0.14 0.01 1.49 0.07 0.00 0.00 179.01 180.79 1e91 h GLU 57 N 0.22 0.13 -0.86 1.06 4.57 -1.96 -2.85 114.58 114.88 1e91 h GLU 57 Ca 0.23 -0.04 0.14 0.00 -1.18 0.00 0.00 59.36 58.51 1e91 h GLU 57 Cb 0.31 -0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 28.80 1e91 h GLU 57 CO -0.31 0.38 0.46 0.28 -1.18 0.00 0.00 179.01 178.63 1e91 h VAL 58 N -0.14 0.77 -0.89 0.32 2.07 -1.43 0.11 116.25 117.07 1e91 h VAL 58 Ca 0.02 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.32 1e91 h VAL 58 Cb 0.32 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.08 1e91 h VAL 58 CO 0.00 0.12 0.59 0.15 0.02 0.00 0.00 177.57 178.46 1e91 h PHE 59 N 0.68 1.13 0.03 1.57 3.57 -1.09 -0.84 116.94 121.99 1e91 h PHE 59 Ca 0.46 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.98 1e91 h PHE 59 Cb 0.59 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.95 1e91 h PHE 59 CO -0.08 0.71 -0.01 1.15 -2.23 0.00 0.00 178.31 177.85 1e91 h THR 60 N 1.21 1.35 -0.37 4.41 2.02 -0.65 -1.40 112.91 119.47 1e91 h THR 60 Ca 0.33 -1.24 0.04 0.00 0.77 0.00 0.00 66.41 66.30 1e91 h THR 60 Cb -0.14 2.17 -0.04 0.00 -1.74 0.00 0.00 68.15 68.41 1e91 h THR 60 CO -0.07 0.31 0.15 -0.33 0.37 0.00 0.00 175.52 175.96 1e91 h GLU 61 N -0.59 0.31 -0.62 6.66 5.08 -0.83 0.27 114.58 124.87 1e91 h GLU 61 Ca -0.00 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1e91 h GLU 61 Cb 0.54 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1e91 h GLU 61 CO 0.01 0.21 0.15 0.28 -1.00 0.00 0.00 179.01 178.66 1e91 h VAL 62 N 0.32 1.25 -0.92 3.13 2.07 -1.23 -2.04 116.25 118.84 1e91 h VAL 62 Ca 0.17 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 1e91 h VAL 62 Cb 0.12 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 1e91 h VAL 62 CO -0.15 0.34 0.56 0.00 0.02 0.00 0.00 177.57 178.34 1e91 h ALA 63 N 1.05 1.17 -0.90 1.67 0.00 -0.60 -1.21 119.26 120.43 1e91 h ALA 63 Ca 0.20 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1e91 h ALA 63 Cb 0.35 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1e91 h ALA 63 CO 0.00 0.62 0.56 -0.91 0.00 0.00 0.00 179.25 179.52 1e91 h ASN 64 N 1.26 1.07 0.53 0.00 2.35 -0.06 -2.85 115.58 117.88 1e91 h ASN 64 Ca 0.33 -0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 56.00 1e91 h ASN 64 Cb -0.06 -0.27 0.01 0.00 0.05 0.00 0.00 38.32 38.04 1e91 h ASN 64 CO -0.06 0.81 -0.25 -0.07 -1.65 0.00 0.00 177.43 176.20 1e91 h LEU 65 N 1.23 -0.60 -3.45 1.61 3.38 -0.67 -3.16 115.31 113.65 1e91 h LEU 65 Ca 0.33 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.28 1e91 h LEU 65 Cb -0.08 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1e91 h LEU 65 CO -0.06 -0.37 -0.04 0.49 0.09 0.00 0.00 178.44 178.55 1e91 n PHE 66 N -4.25 0.00 -1.72 1.13 3.72 -0.53 -4.91 117.46 110.90 1e91 n PHE 66 Ca -0.09 -0.86 -0.43 0.00 -0.05 0.00 0.00 57.45 56.03 1e91 n PHE 66 Cb 0.28 -0.64 -0.03 0.00 -0.94 0.00 0.00 39.48 38.15 1e91 n PHE 66 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1e91 n ARG 67 N 1.84 2.67 0.00 -1.08 3.00 -1.08 -2.15 116.66 119.86 1e91 n ARG 67 Ca 0.07 0.96 0.00 0.00 -0.00 0.00 0.00 57.85 58.88 1e91 n ARG 67 Cb 0.46 -2.78 0.00 0.00 0.00 0.00 0.00 32.46 30.14 1e91 n ARG 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1e91 n GLY 68 N 3.55 1.00 2.20 5.14 0.00 -1.26 -4.76 105.19 111.06 1e91 n GLY 68 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 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 2.80 0.00 1.61 6.02 -0.91 -4.63 117.38 122.27 1e91 n GLN 69 Ca 0.00 -1.75 0.02 0.00 -0.01 0.00 0.00 57.00 55.26 1e91 n GLN 69 Cb 0.00 -2.32 0.14 0.00 1.02 0.00 0.00 30.24 29.08 1e91 n GLN 69 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1e91 n GLU 70 N 2.56 0.17 0.03 -1.09 1.02 -1.24 -2.97 120.64 119.13 1e91 n GLU 70 Ca 0.57 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.58 1e91 n GLU 70 Cb 0.60 -1.41 -0.07 0.00 -0.02 0.00 0.00 31.44 30.53 1e91 n GLU 70 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1e91 h ASP 71 N 0.00 -0.01 0.39 1.62 3.32 -1.90 -1.39 116.42 118.45 1e91 h ASP 71 Ca 0.00 -0.07 -0.15 0.00 0.02 0.00 0.00 57.03 56.83 1e91 h ASP 71 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1e91 h ASP 71 CO 0.00 0.07 -0.63 -0.07 -1.72 0.00 0.00 179.24 176.89 1e91 h LEU 72 N -0.08 0.26 -1.11 1.55 3.38 -1.92 -3.03 115.31 114.35 1e91 h LEU 72 Ca -0.00 -0.16 0.11 0.00 0.09 0.00 0.00 57.88 57.93 1e91 h LEU 72 Cb 0.08 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 1e91 h LEU 72 CO 0.00 0.82 0.61 0.25 0.09 0.00 0.00 178.44 180.21 1e91 h LEU 73 N 0.17 0.86 -0.93 1.67 7.12 -1.58 -0.40 115.31 122.21 1e91 h LEU 73 Ca -0.01 0.04 0.07 0.00 0.13 0.00 0.00 57.88 58.11 1e91 h LEU 73 Cb 1.14 -0.14 -0.07 0.00 -0.53 0.00 0.00 40.66 41.06 1e91 h LEU 73 CO 0.10 0.47 0.58 -1.28 -0.13 0.00 0.00 178.44 178.18 1e91 h SER 74 N 0.93 0.91 0.02 1.25 0.87 -1.13 0.96 113.55 117.36 1e91 h SER 74 Ca 0.46 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 61.04 1e91 h SER 74 Cb 0.47 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1e91 h SER 74 CO -0.22 0.57 -0.01 -0.33 -0.53 0.00 0.00 176.83 176.31 1e91 h GLU 75 N 1.04 -0.03 -0.79 2.24 5.08 -1.20 -2.39 114.58 118.54 1e91 h GLU 75 Ca 0.41 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.81 1e91 h GLU 75 Cb 0.21 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 1e91 h GLU 75 CO -0.19 0.19 0.50 0.35 -1.00 0.00 0.00 179.01 178.86 1e91 h PHE 76 N -0.24 0.93 -0.52 4.33 3.57 -1.04 -1.90 116.94 122.06 1e91 h PHE 76 Ca -0.00 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.55 1e91 h PHE 76 Cb 0.23 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 1e91 h PHE 76 CO -0.00 0.51 0.35 0.78 -2.23 0.00 0.00 178.31 177.71 1e91 h GLY 77 N 0.95 0.69 0.41 2.40 0.00 -0.67 -2.43 103.07 104.41 1e91 h GLY 77 Ca 0.33 -0.25 0.11 0.00 0.00 0.00 0.00 47.33 47.52 1e91 h GLY 77 CO -0.14 0.22 0.39 1.46 0.00 0.00 0.00 176.54 178.47 1e91 h GLN 78 N 0.63 0.61 -0.12 4.80 4.20 -0.81 -2.24 115.11 122.17 1e91 h GLN 78 Ca 0.20 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.85 1e91 h GLN 78 Cb 0.04 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 1e91 h GLN 78 CO -0.05 0.40 -0.04 0.74 -0.67 0.00 0.00 178.83 179.21 1e91 h PHE 79 N 0.63 0.27 -4.04 2.96 -1.00 -1.50 -3.44 116.94 110.82 1e91 h PHE 79 Ca 0.39 -0.06 -0.52 0.00 2.81 0.00 0.00 57.97 60.59 1e91 h PHE 79 Cb 0.44 -0.06 0.08 0.00 3.61 0.00 0.00 35.95 40.02 1e91 h PHE 79 CO -0.10 0.56 0.49 -0.51 -1.61 0.00 0.00 178.31 177.14 1e91 s LEU 80 N -9.34 3.89 0.12 1.54 1.43 -0.84 -4.92 118.68 110.55 1e91 s LEU 80 Ca -0.14 2.36 -0.34 0.00 -1.03 0.00 0.00 54.13 54.98 1e91 s LEU 80 Cb 0.05 -4.36 -0.13 0.00 0.03 0.00 0.00 46.19 41.78 1e91 s LEU 80 CO 0.72 -1.16 1.65 -2.65 0.23 0.00 0.00 176.35 175.14 1e91 n PRO 81 N -0.87 2.22 -2.08 1.29 -0.02 -1.26 -4.88 135.00 129.40 1e91 n PRO 81 Ca 0.09 0.80 -0.42 0.00 -2.02 0.00 0.00 63.50 61.96 1e91 n PRO 81 Cb 0.48 -2.60 -0.03 0.00 -0.02 0.00 0.00 33.50 31.34 1e91 n PRO 81 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1e91 s GLU 82 N 1.55 4.30 0.00 -0.52 0.41 -1.26 -5.02 118.70 118.15 1e91 s GLU 82 Ca 0.81 2.20 0.00 0.00 -0.41 0.00 0.00 54.97 57.57 1e91 s GLU 82 Cb -0.66 -3.17 0.00 0.00 -1.78 0.00 0.00 34.13 28.52 1e91 s GLU 82 CO 0.40 -0.43 0.00 0.00 -0.49 0.00 0.00 175.26 174.74 1e91 n ALA 83 N 3.17 0.00 -1.77 5.21 0.00 -1.26 -4.97 120.51 120.89 1e91 n ALA 83 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.14 1e91 n ALA 83 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.83 1e91 n ALA 83 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1e91 s LYS 84 N 0.00 4.31 0.00 0.00 2.20 -1.26 -5.32 119.74 119.67 1e91 s LYS 84 Ca 0.00 1.98 0.00 0.00 -0.36 0.00 0.00 55.97 57.59 1e91 s LYS 84 Cb 0.00 -2.95 0.00 0.00 -1.51 0.00 0.00 37.83 33.37 1e91 s LYS 84 CO 0.00 -0.15 0.00 -2.13 -0.36 0.00 0.00 175.35 172.71