#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ab3 h ILE 2 N 0.00 0.00 -2.18 4.25 2.04 -1.96 -3.47 117.51 116.19 1ab3 h ILE 2 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1ab3 h ILE 2 Cb 0.00 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.08 1ab3 h ILE 2 CO 0.00 0.00 0.01 1.07 0.00 0.00 0.00 178.15 179.23 1ab3 n THR 3 N -4.59 0.00 0.00 -0.27 5.66 -1.26 -4.96 114.28 108.86 1ab3 n THR 3 Ca -0.08 -0.16 0.00 0.00 -3.05 0.00 0.00 64.05 60.76 1ab3 n THR 3 Cb 0.32 0.12 0.00 0.00 -1.55 0.00 0.00 70.33 69.22 1ab3 n THR 3 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1ab3 n LYS 4 N -0.06 0.00 -0.41 1.09 5.02 -1.26 -2.13 118.16 120.41 1ab3 n LYS 4 Ca -0.00 0.20 0.04 0.00 -2.02 0.00 0.00 58.31 56.53 1ab3 n LYS 4 Cb 0.07 -0.71 0.20 0.00 -0.02 0.00 0.00 35.03 34.57 1ab3 n LYS 4 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ab3 n GLU 5 N -0.41 2.77 -0.08 1.97 1.02 -1.26 -3.79 120.64 120.85 1ab3 n GLU 5 Ca 0.00 -1.57 0.10 0.00 -0.02 0.00 0.00 57.16 55.67 1ab3 n GLU 5 Cb 0.00 -1.77 0.37 0.00 -0.02 0.00 0.00 31.44 30.02 1ab3 n GLU 5 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ab3 n GLU 6 N 0.39 1.69 0.00 3.49 -0.58 -0.91 -3.93 120.64 120.78 1ab3 n GLU 6 Ca 0.14 -1.03 0.00 0.00 -0.42 0.00 0.00 57.16 55.85 1ab3 n GLU 6 Cb 0.65 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 1ab3 n GLU 6 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1ab3 n LYS 7 N 0.26 1.90 0.08 3.49 -0.00 -1.21 -4.23 118.16 118.46 1ab3 n LYS 7 Ca 0.16 0.00 0.19 0.00 -0.00 0.00 0.00 58.31 58.66 1ab3 n LYS 7 Cb 0.31 -0.83 0.74 0.00 -0.00 0.00 0.00 35.03 35.25 1ab3 n LYS 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.40 176.84 1ab3 h GLN 8 N 0.00 0.00 0.00 -1.58 3.07 -1.74 0.19 115.11 115.05 1ab3 h GLN 8 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 58.65 58.56 1ab3 h GLN 8 Cb 0.65 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.18 1ab3 h GLN 8 CO 0.00 0.00 -1.08 0.87 0.09 0.00 0.00 178.83 178.71 1ab3 h LYS 9 N 0.00 0.00 0.33 0.06 1.57 -1.84 -2.42 116.57 114.28 1ab3 h LYS 9 Ca 0.19 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1ab3 h LYS 9 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1ab3 h LYS 9 CO -0.00 0.54 -0.16 0.28 -0.57 0.00 0.00 179.45 179.53 1ab3 h VAL 10 N 0.00 0.68 -0.04 0.50 2.07 -0.88 -2.62 116.25 115.97 1ab3 h VAL 10 Ca -0.10 -0.11 -0.10 0.00 0.82 0.00 0.00 66.70 67.21 1ab3 h VAL 10 Cb 1.62 0.74 0.01 0.00 -1.52 0.00 0.00 31.29 32.15 1ab3 h VAL 10 CO 0.07 0.02 -0.35 0.16 0.02 0.00 0.00 177.57 177.50 1ab3 h ILE 11 N -0.51 1.46 -1.44 4.57 -2.65 -1.64 -1.16 117.51 116.14 1ab3 h ILE 11 Ca -0.05 -1.84 0.47 0.00 1.03 0.00 0.00 64.86 64.47 1ab3 h ILE 11 Cb 0.38 2.49 -0.12 0.00 -2.05 0.00 0.00 36.82 37.53 1ab3 h ILE 11 CO 0.08 0.52 0.95 0.00 0.03 0.00 0.00 178.15 179.73 1ab3 n GLN 12 N -4.41 -0.03 -0.01 0.16 1.13 -0.91 0.28 117.38 113.60 1ab3 n GLN 12 Ca -0.09 1.16 -0.18 0.00 -1.94 0.00 0.00 57.00 55.94 1ab3 n GLN 12 Cb 0.53 -2.36 -0.14 0.00 0.11 0.00 0.00 30.24 28.38 1ab3 n GLN 12 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1ab3 n GLU 13 N -4.45 0.73 -0.00 -1.09 -0.58 -0.99 -4.64 120.64 109.62 1ab3 n GLU 13 Ca 0.39 0.26 -0.00 0.00 -0.42 0.00 0.00 57.16 57.39 1ab3 n GLU 13 Cb 1.59 -1.71 -0.00 0.00 -0.57 0.00 0.00 31.44 30.74 1ab3 n GLU 13 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 1ab3 h PHE 14 N 0.05 0.00 -2.14 -0.32 0.04 0.51 -3.45 116.94 111.64 1ab3 h PHE 14 Ca -0.41 0.00 -0.60 0.00 2.80 0.00 0.00 57.97 59.77 1ab3 h PHE 14 Cb 2.03 0.00 0.03 0.00 2.20 0.00 0.00 35.95 40.21 1ab3 h PHE 14 CO 0.06 0.00 1.03 0.00 -0.60 0.00 0.00 178.31 178.80 1ab3 n ALA 15 N -2.26 1.12 -0.43 2.45 0.00 0.81 -4.81 120.51 117.39 1ab3 n ALA 15 Ca -0.00 0.32 -0.15 0.00 0.00 0.00 0.00 53.44 53.60 1ab3 n ALA 15 Cb 0.01 -2.48 0.11 0.00 0.00 0.00 0.00 19.45 17.09 1ab3 n ALA 15 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1ab3 n ARG 16 N 5.84 1.80 -3.64 0.00 0.00 -1.26 -4.32 116.66 115.08 1ab3 n ARG 16 Ca 0.21 -1.90 0.01 0.00 -0.00 0.00 0.00 57.85 56.16 1ab3 n ARG 16 Cb 0.30 -1.75 -0.01 0.00 -0.00 0.00 0.00 32.46 31.01 1ab3 n ARG 16 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1ab3 s PHE 17 N -2.09 -0.06 -2.00 2.89 0.08 -1.26 -4.92 117.98 110.62 1ab3 s PHE 17 Ca 0.36 -0.07 0.19 0.00 0.12 0.00 0.00 56.93 57.53 1ab3 s PHE 17 Cb 0.30 0.56 1.11 0.00 -0.57 0.00 0.00 43.02 44.42 1ab3 s PHE 17 CO 0.07 -0.35 1.54 -0.35 -0.10 0.00 0.00 175.22 176.03 1ab3 n PRO 18 N -0.47 0.70 0.00 0.24 -0.04 -1.26 -2.43 135.00 131.75 1ab3 n PRO 18 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1ab3 n PRO 18 Cb 0.62 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 1ab3 n PRO 18 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ab3 n GLY 19 N 0.37 0.16 1.21 0.55 0.00 -1.26 -4.67 105.19 101.55 1ab3 n GLY 19 Ca 0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.20 1ab3 n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ab3 n ASP 20 N -0.29 3.44 0.08 1.61 9.92 -1.02 -3.69 116.55 126.60 1ab3 n ASP 20 Ca 0.00 -2.46 0.07 0.00 -0.53 0.00 0.00 54.79 51.87 1ab3 n ASP 20 Cb 0.05 -0.58 -0.03 0.00 -0.64 0.00 0.00 41.12 39.93 1ab3 n ASP 20 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 1ab3 h THR 21 N 2.15 0.21 -0.04 -3.53 1.35 -1.83 -3.31 112.91 107.90 1ab3 h THR 21 Ca 0.00 -1.41 0.00 0.00 -0.55 0.00 0.00 66.41 64.45 1ab3 h THR 21 Cb 1.24 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 69.40 1ab3 h THR 21 CO 0.25 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 176.25 1ab3 n GLY 22 N 1.26 0.46 3.59 5.82 0.00 -1.24 -4.70 105.19 110.38 1ab3 n GLY 22 Ca -0.04 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 1ab3 n GLY 22 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ab3 n SER 23 N 1.03 -0.51 0.26 1.61 3.41 -1.25 -4.87 113.62 113.31 1ab3 n SER 23 Ca 0.11 0.18 0.16 0.00 -0.26 0.00 0.00 58.87 59.06 1ab3 n SER 23 Cb 0.46 -1.39 0.57 0.00 -0.26 0.00 0.00 64.21 63.59 1ab3 n SER 23 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1ab3 h THR 24 N -2.23 0.00 0.09 6.66 2.02 -1.94 -3.09 112.91 114.41 1ab3 h THR 24 Ca -0.51 -0.60 -0.00 0.00 0.77 0.00 0.00 66.41 66.07 1ab3 h THR 24 Cb 1.30 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 69.30 1ab3 h THR 24 CO 0.44 0.00 -0.04 -0.33 0.37 0.00 0.00 175.52 175.96 1ab3 h GLU 25 N 0.00 -0.11 -0.84 6.66 5.08 -1.92 -1.58 114.58 121.86 1ab3 h GLU 25 Ca 0.00 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1ab3 h GLU 25 Cb 0.61 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.83 1ab3 h GLU 25 CO 0.00 0.34 0.52 0.28 -1.00 0.00 0.00 179.01 179.15 1ab3 h VAL 26 N -0.61 1.06 -0.50 3.13 2.07 -1.79 -1.86 116.25 117.76 1ab3 h VAL 26 Ca -0.01 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 1ab3 h VAL 26 Cb 0.50 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1ab3 h VAL 26 CO 0.02 0.18 0.05 0.06 0.02 0.00 0.00 177.57 177.89 1ab3 h GLN 27 N 0.97 0.85 -1.05 1.57 3.07 -1.53 -1.63 115.11 117.35 1ab3 h GLN 27 Ca 0.36 -0.25 0.29 0.00 0.09 0.00 0.00 58.65 59.14 1ab3 h GLN 27 Cb 0.13 -0.09 -0.07 0.00 0.08 0.00 0.00 27.48 27.54 1ab3 h GLN 27 CO -0.16 0.86 0.72 0.28 0.09 0.00 0.00 178.83 180.62 1ab3 h VAL 28 N 0.72 0.50 -0.31 1.86 2.07 -0.44 0.93 116.25 121.57 1ab3 h VAL 28 Ca 0.15 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.53 1ab3 h VAL 28 Cb 0.45 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1ab3 h VAL 28 CO 0.02 0.04 -0.06 0.00 0.02 0.00 0.00 177.57 177.59 1ab3 h ALA 29 N 1.54 0.43 0.00 1.67 0.00 -1.03 -1.16 119.26 120.71 1ab3 h ALA 29 Ca 0.55 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1ab3 h ALA 29 Cb 1.76 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1ab3 h ALA 29 CO -0.15 0.24 0.00 1.47 0.00 0.00 0.00 179.25 180.81 1ab3 n LEU 30 N -4.48 0.64 0.11 0.00 -0.00 0.29 -1.36 117.00 112.20 1ab3 n LEU 30 Ca -0.03 0.70 -0.00 0.00 -0.00 0.00 0.00 56.01 56.68 1ab3 n LEU 30 Cb 0.31 -0.66 0.28 0.00 -0.00 0.00 0.00 43.42 43.35 1ab3 n LEU 30 CO 0.40 -0.69 0.72 0.17 -0.00 0.00 0.00 177.39 177.99 1ab3 h LEU 31 N 0.00 0.22 -0.10 1.47 8.10 0.58 -2.04 115.31 123.54 1ab3 h LEU 31 Ca 0.00 -0.08 -0.08 0.00 0.11 0.00 0.00 57.88 57.83 1ab3 h LEU 31 Cb 0.24 -0.06 0.00 0.00 -0.44 0.00 0.00 40.66 40.41 1ab3 h LEU 31 CO 0.00 0.54 -0.25 0.00 -4.11 0.00 0.00 178.44 174.62 1ab3 h THR 32 N 0.19 1.40 0.30 0.15 1.03 -1.18 -2.93 112.91 111.87 1ab3 h THR 32 Ca 0.03 -1.58 -0.00 0.00 -0.01 0.00 0.00 66.41 64.85 1ab3 h THR 32 Cb 0.67 2.17 -0.02 0.00 -1.07 0.00 0.00 68.15 69.90 1ab3 h THR 32 CO 0.05 0.46 -0.27 0.25 -0.01 0.00 0.00 175.52 175.99 1ab3 h LEU 33 N -0.11 -0.73 -2.04 0.00 7.12 -1.50 0.28 115.31 118.33 1ab3 h LEU 33 Ca -0.00 0.06 0.03 0.00 0.13 0.00 0.00 57.88 58.10 1ab3 h LEU 33 Cb 0.86 0.24 -0.00 0.00 -0.53 0.00 0.00 40.66 41.23 1ab3 h LEU 33 CO 0.06 -0.40 0.34 0.03 -0.13 0.00 0.00 178.44 178.34 1ab3 h ARG 34 N -0.59 0.00 -0.00 1.25 2.47 -1.44 -0.00 114.38 116.07 1ab3 h ARG 34 Ca -0.01 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 1ab3 h ARG 34 Cb 0.54 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.86 1ab3 h ARG 34 CO -0.04 0.00 -0.02 0.82 0.56 0.00 0.00 179.97 181.28 1ab3 h ILE 35 N 0.00 1.59 -0.71 2.04 5.03 -0.76 -2.32 117.51 122.37 1ab3 h ILE 35 Ca 0.06 -1.76 0.00 0.00 -0.12 0.00 0.00 64.86 63.04 1ab3 h ILE 35 Cb 0.74 2.77 -0.03 0.00 -3.03 0.00 0.00 36.82 37.27 1ab3 h ILE 35 CO -0.00 0.46 0.45 0.78 -0.68 0.00 0.00 178.15 179.16 1ab3 h ASN 36 N -0.71 0.84 -0.16 1.72 2.35 -0.36 -0.90 115.58 118.36 1ab3 h ASN 36 Ca -0.00 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1ab3 h ASN 36 Cb 0.77 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.93 1ab3 h ASN 36 CO 0.00 0.63 0.00 0.54 -1.65 0.00 0.00 177.43 176.95 1ab3 n ARG 37 N -4.56 1.37 -0.01 0.81 1.74 -0.72 -3.29 116.66 111.99 1ab3 n ARG 37 Ca 0.06 -0.57 -0.05 0.00 -0.77 0.00 0.00 57.85 56.53 1ab3 n ARG 37 Cb 0.03 -1.13 -0.12 0.00 -1.02 0.00 0.00 32.46 30.22 1ab3 n ARG 37 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1ab3 n LEU 38 N -0.04 0.76 0.22 0.55 7.94 -0.34 -3.92 117.00 122.16 1ab3 n LEU 38 Ca 0.05 0.35 0.10 0.00 -1.11 0.00 0.00 56.01 55.41 1ab3 n LEU 38 Cb 0.14 0.16 0.41 0.00 0.53 0.00 0.00 43.42 44.66 1ab3 n LEU 38 CO 0.04 0.29 0.79 -1.28 -1.11 0.00 0.00 177.39 176.12 1ab3 h SER 39 N 0.00 0.00 -0.33 1.96 0.87 -1.55 -2.77 113.55 111.73 1ab3 h SER 39 Ca -0.26 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.29 1ab3 h SER 39 Cb 1.85 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.80 1ab3 h SER 39 CO 0.06 0.20 0.02 -0.62 -0.53 0.00 0.00 176.83 175.96 1ab3 n GLU 40 N -3.30 3.15 0.00 2.24 1.02 -1.25 -4.09 120.64 118.41 1ab3 n GLU 40 Ca 0.01 -1.77 0.00 0.00 -0.02 0.00 0.00 57.16 55.38 1ab3 n GLU 40 Cb 0.46 -1.92 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 1ab3 n GLU 40 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1ab3 n HIS 41 N 0.32 0.00 0.63 -0.32 8.25 -1.04 -4.20 115.22 118.85 1ab3 n HIS 41 Ca 0.16 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.69 1ab3 n HIS 41 Cb 0.80 -0.24 0.33 0.00 1.12 0.00 0.00 29.99 32.00 1ab3 n HIS 41 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ab3 n LEU 42 N -1.80 0.00 -0.74 2.41 4.32 -1.26 -1.68 117.00 118.24 1ab3 n LEU 42 Ca 0.00 0.25 0.02 0.00 -0.02 0.00 0.00 56.01 56.25 1ab3 n LEU 42 Cb 0.00 -0.25 0.10 0.00 -1.62 0.00 0.00 43.42 41.65 1ab3 n LEU 42 CO 0.00 -0.14 0.43 0.29 -1.22 0.00 0.00 177.39 176.75 1ab3 n LYS 43 N -1.25 1.85 0.00 3.23 5.02 -1.26 -4.06 118.16 121.69 1ab3 n LYS 43 Ca 0.06 -0.74 0.00 0.00 -2.02 0.00 0.00 58.31 55.61 1ab3 n LYS 43 Cb 0.09 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 1ab3 n LYS 43 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ab3 n VAL 44 N 0.13 0.00 -0.39 -0.18 0.31 -1.04 -4.89 118.33 112.27 1ab3 n VAL 44 Ca 0.07 0.00 0.38 0.00 -0.01 0.00 0.00 64.34 64.78 1ab3 n VAL 44 Cb 0.42 0.00 0.69 0.00 -0.91 0.00 0.00 33.84 34.04 1ab3 n VAL 44 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 1ab3 h HIS 45 N 0.00 0.00 -4.11 3.52 3.86 -1.47 -3.43 115.15 113.53 1ab3 h HIS 45 Ca 0.00 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.09 1ab3 h HIS 45 Cb 0.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1ab3 h HIS 45 CO 0.00 0.00 -0.15 1.63 0.86 0.00 0.00 177.93 180.27 1ab3 n LYS 46 N -3.77 -2.45 0.00 2.45 4.76 -1.26 -4.41 118.16 113.48 1ab3 n LYS 46 Ca 0.30 0.30 0.00 0.00 -2.87 0.00 0.00 58.31 56.04 1ab3 n LYS 46 Cb 1.55 -4.80 0.00 0.00 -1.84 0.00 0.00 35.03 29.94 1ab3 n LYS 46 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1ab3 n LYS 47 N -2.51 0.00 -0.12 1.97 2.85 -1.26 -5.02 118.16 114.07 1ab3 n LYS 47 Ca -0.07 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.14 1ab3 n LYS 47 Cb 0.51 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 34.91 1ab3 n LYS 47 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 177.40 177.73 1ab3 h ASP 48 N 0.00 -0.42 0.00 -5.58 2.03 -1.90 -3.44 116.42 107.11 1ab3 h ASP 48 Ca 0.00 0.13 0.00 0.00 -0.73 0.00 0.00 57.03 56.43 1ab3 h ASP 48 Cb 0.00 0.27 0.00 0.00 -0.83 0.00 0.00 39.33 38.77 1ab3 h ASP 48 CO 0.00 -0.15 0.00 1.41 -1.03 0.00 0.00 179.24 179.47 1ab3 n HIS 49 N -5.32 0.00 -1.26 4.15 8.25 -1.26 -0.98 115.22 118.80 1ab3 n HIS 49 Ca 0.02 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.57 1ab3 n HIS 49 Cb 0.23 0.00 0.17 0.00 1.12 0.00 0.00 29.99 31.51 1ab3 n HIS 49 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1ab3 n HIS 50 N 0.00 0.08 -1.47 4.41 8.25 -1.26 -5.02 115.22 120.21 1ab3 n HIS 50 Ca 0.00 -1.18 -0.44 0.00 -0.26 0.00 0.00 57.72 55.84 1ab3 n HIS 50 Cb 0.00 -0.20 -0.13 0.00 1.12 0.00 0.00 29.99 30.78 1ab3 n HIS 50 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ab3 n SER 51 N -1.28 0.61 0.00 0.41 2.88 -0.15 -4.28 113.62 111.80 1ab3 n SER 51 Ca 0.18 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.91 1ab3 n SER 51 Cb 0.68 -0.99 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 1ab3 n SER 51 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1ab3 n HIS 52 N 10.56 0.00 -0.02 0.66 8.25 -1.26 -5.02 115.22 128.39 1ab3 n HIS 52 Ca 0.61 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 58.05 1ab3 n HIS 52 Cb 0.07 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.17 1ab3 n HIS 52 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1ab3 h ARG 53 N 0.00 -0.07 -0.35 -0.41 2.43 -2.02 -3.36 114.38 110.60 1ab3 h ARG 53 Ca 0.00 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.95 1ab3 h ARG 53 Cb 0.00 0.02 -0.39 0.00 -0.42 0.00 0.00 29.97 29.17 1ab3 h ARG 53 CO 0.00 -0.05 -1.09 0.41 -1.51 0.00 0.00 179.97 177.73 1ab3 n GLY 54 N -1.06 1.64 1.63 2.80 0.00 -1.26 -4.87 105.19 104.06 1ab3 n GLY 54 Ca -0.01 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 1ab3 n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ab3 n LEU 55 N -0.41 4.94 -0.08 0.99 7.99 -1.26 -3.90 117.00 125.28 1ab3 n LEU 55 Ca 0.06 -2.59 -0.11 0.00 -0.01 0.00 0.00 56.01 53.37 1ab3 n LEU 55 Cb 0.86 -0.68 -0.07 0.00 -0.11 0.00 0.00 43.42 43.42 1ab3 n LEU 55 CO 0.05 0.79 -1.00 0.18 -1.51 0.00 0.00 177.39 175.90 1ab3 n LEU 56 N -0.31 2.93 -0.24 2.23 4.77 -1.26 -4.40 117.00 120.73 1ab3 n LEU 56 Ca 0.30 -0.07 0.03 0.00 -0.03 0.00 0.00 56.01 56.23 1ab3 n LEU 56 Cb 1.07 -0.53 0.12 0.00 -2.33 0.00 0.00 43.42 41.75 1ab3 n LEU 56 CO 0.31 0.75 0.80 -0.03 -1.33 0.00 0.00 177.39 177.89 1ab3 h MET 57 N -0.02 0.07 -0.58 3.23 4.05 -1.98 0.22 114.93 119.92 1ab3 h MET 57 Ca -0.34 -0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.10 1ab3 h MET 57 Cb 1.53 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 32.27 1ab3 h MET 57 CO -0.06 0.05 0.35 0.00 0.23 0.00 0.00 176.91 177.48 1ab3 h MET 58 N 0.08 0.68 0.00 0.39 -0.00 -1.82 0.28 114.93 114.54 1ab3 h MET 58 Ca 0.36 -0.04 0.00 0.00 -0.00 0.00 0.00 59.70 60.02 1ab3 h MET 58 Cb 0.61 -0.15 0.00 0.00 -0.00 0.00 0.00 31.60 32.06 1ab3 h MET 58 CO -0.64 0.45 0.00 0.28 -0.00 0.00 0.00 176.91 177.00 1ab3 h VAL 59 N 0.70 0.00 -0.02 -0.10 2.07 -0.91 -1.67 116.25 116.33 1ab3 h VAL 59 Ca 0.24 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1ab3 h VAL 59 Cb 0.02 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1ab3 h VAL 59 CO -0.10 0.00 -0.10 0.61 0.02 0.00 0.00 177.57 178.00 1ab3 n GLY 60 N -0.22 0.09 1.38 2.17 0.00 0.26 -3.26 105.19 105.61 1ab3 n GLY 60 Ca 0.00 -0.51 0.02 0.00 0.00 0.00 0.00 46.02 45.54 1ab3 n GLY 60 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ab3 n GLN 61 N 0.24 3.13 0.00 1.61 3.00 -0.63 -3.97 117.38 120.77 1ab3 n GLN 61 Ca 0.16 -1.86 0.00 0.00 -0.01 0.00 0.00 57.00 55.29 1ab3 n GLN 61 Cb 0.42 -1.93 0.00 0.00 0.00 0.00 0.00 30.24 28.73 1ab3 n GLN 61 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1ab3 n ARG 62 N 0.27 0.00 0.17 -1.09 0.63 -1.25 -4.44 116.66 110.94 1ab3 n ARG 62 Ca 0.19 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.23 1ab3 n ARG 62 Cb 0.86 -0.13 0.61 0.00 0.45 0.00 0.00 32.46 34.25 1ab3 n ARG 62 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1ab3 h ARG 63 N 0.00 0.00 0.00 -0.14 1.12 -1.73 -3.23 114.38 110.40 1ab3 h ARG 63 Ca 0.00 0.00 -0.11 0.00 -1.11 0.00 0.00 59.98 58.76 1ab3 h ARG 63 Cb 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 29.97 29.86 1ab3 h ARG 63 CO 0.00 0.00 -0.18 0.54 -3.11 0.00 0.00 179.97 177.22 1ab3 n ARG 64 N -2.29 0.82 0.26 0.20 1.74 -1.25 -4.95 116.66 111.18 1ab3 n ARG 64 Ca -0.01 -0.79 0.18 0.00 -0.77 0.00 0.00 57.85 56.45 1ab3 n ARG 64 Cb 0.05 0.31 0.90 0.00 -1.02 0.00 0.00 32.46 32.69 1ab3 n ARG 64 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1ab3 h LEU 65 N 0.60 0.00 -1.74 0.55 5.85 -1.70 -1.85 115.31 117.02 1ab3 h LEU 65 Ca -0.31 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1ab3 h LEU 65 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1ab3 h LEU 65 CO -0.13 0.00 0.14 -0.07 -0.34 0.00 0.00 178.44 178.04 1ab3 h LEU 66 N 0.00 0.00 -3.36 2.25 4.07 -1.92 0.11 115.31 116.46 1ab3 h LEU 66 Ca 0.00 0.00 -0.27 0.00 0.08 0.00 0.00 57.88 57.69 1ab3 h LEU 66 Cb 0.09 0.00 -0.16 0.00 1.08 0.00 0.00 40.66 41.67 1ab3 h LEU 66 CO 0.00 0.00 0.35 -2.11 -1.08 0.00 0.00 178.44 175.60 1ab3 n ARG 67 N -2.51 2.59 0.00 1.13 -4.01 -0.69 -2.87 116.66 110.29 1ab3 n ARG 67 Ca -0.02 -2.34 0.00 0.00 -1.04 0.00 0.00 57.85 54.45 1ab3 n ARG 67 Cb 0.18 -1.96 0.00 0.00 -3.04 0.00 0.00 32.46 27.64 1ab3 n ARG 67 CO 0.00 0.00 0.00 0.66 -3.04 0.00 0.00 177.63 175.25 1ab3 n TYR 68 N -0.38 0.00 0.03 2.89 4.01 0.37 -4.82 117.16 119.26 1ab3 n TYR 68 Ca 0.38 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 58.07 1ab3 n TYR 68 Cb 1.27 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 40.27 1ab3 n TYR 68 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1ab3 h LEU 69 N 0.00 -0.16 -1.68 7.72 5.85 -1.82 -3.15 115.31 122.07 1ab3 h LEU 69 Ca 0.00 -0.15 0.30 0.00 0.84 0.00 0.00 57.88 58.86 1ab3 h LEU 69 Cb 0.00 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1ab3 h LEU 69 CO 0.00 0.38 0.94 -0.61 -0.34 0.00 0.00 178.44 178.80 1ab3 h GLN 70 N -1.02 0.00 -0.15 1.25 -0.00 -1.73 0.42 115.11 113.88 1ab3 h GLN 70 Ca -0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.58 1ab3 h GLN 70 Cb 0.31 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.78 1ab3 h GLN 70 CO 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 178.83 178.74 1ab3 h ARG 71 N 0.00 0.34 -0.66 1.69 3.08 -1.50 -2.89 114.38 114.45 1ab3 h ARG 71 Ca 0.48 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1ab3 h ARG 71 Cb 2.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.40 1ab3 h ARG 71 CO -0.01 0.71 0.00 0.39 -1.07 0.00 0.00 179.97 180.00 1ab3 n GLU 72 N -4.58 1.90 0.00 0.04 1.02 0.14 -4.67 120.64 114.49 1ab3 n GLU 72 Ca -0.06 -0.85 0.00 0.00 -0.02 0.00 0.00 57.16 56.23 1ab3 n GLU 72 Cb 0.34 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 1ab3 n GLU 72 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1ab3 n ASP 73 N 0.16 0.00 0.13 1.62 5.68 -0.87 -5.00 116.55 118.26 1ab3 n ASP 73 Ca 0.08 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.36 1ab3 n ASP 73 Cb 0.41 0.00 0.10 0.00 -1.14 0.00 0.00 41.12 40.49 1ab3 n ASP 73 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 1ab3 h PRO 74 N 0.00 0.00 -0.03 0.11 0.13 -1.81 -3.02 132.00 127.39 1ab3 h PRO 74 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.00 1ab3 h PRO 74 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 1ab3 h PRO 74 CO 0.00 0.66 -0.49 1.49 -0.23 0.00 0.00 178.00 179.44 1ab3 h GLU 75 N 0.00 0.38 0.00 0.86 4.81 -1.95 -2.72 114.58 115.95 1ab3 h GLU 75 Ca -0.01 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1ab3 h GLU 75 Cb 1.28 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.76 1ab3 h GLU 75 CO 0.09 1.04 0.10 0.00 -0.73 0.00 0.00 179.01 179.50 1ab3 h ARG 76 N -0.13 0.00 -1.61 1.92 2.47 -1.92 -1.73 114.38 113.37 1ab3 h ARG 76 Ca -0.05 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.54 1ab3 h ARG 76 Cb 1.18 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.44 1ab3 h ARG 76 CO 0.10 0.00 0.17 0.98 0.56 0.00 0.00 179.97 181.77 1ab3 n TYR 77 N -2.65 0.65 -2.17 3.04 9.36 -1.03 -3.64 117.16 120.72 1ab3 n TYR 77 Ca -0.02 -1.26 -0.02 0.00 3.32 0.00 0.00 57.90 59.92 1ab3 n TYR 77 Cb 0.14 -0.62 -0.03 0.00 -0.63 0.00 0.00 39.34 38.21 1ab3 n TYR 77 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 1ab3 n ARG 78 N 0.81 0.00 0.05 2.98 1.85 -0.65 -4.87 116.66 116.83 1ab3 n ARG 78 Ca 0.13 -1.25 0.00 0.00 -1.00 0.00 0.00 57.85 55.73 1ab3 n ARG 78 Cb 0.58 0.20 0.00 0.00 -1.05 0.00 0.00 32.46 32.20 1ab3 n ARG 78 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ab3 n ALA 79 N 0.17 3.00 1.02 2.89 0.00 -1.24 -4.75 120.51 121.61 1ab3 n ALA 79 Ca -0.11 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.42 1ab3 n ALA 79 Cb 0.84 0.05 0.50 0.00 0.00 0.00 0.00 19.45 20.84 1ab3 n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ab3 n LEU 80 N -2.97 0.00 0.18 0.00 4.77 -1.26 -1.82 117.00 115.90 1ab3 n LEU 80 Ca 0.00 0.10 0.04 0.00 -0.03 0.00 0.00 56.01 56.12 1ab3 n LEU 80 Cb 0.00 -0.10 0.33 0.00 -2.33 0.00 0.00 43.42 41.32 1ab3 n LEU 80 CO 0.00 -0.04 0.67 0.16 -1.33 0.00 0.00 177.39 176.85 1ab3 h ILE 81 N 0.00 1.05 0.00 -0.08 -0.00 -1.88 0.85 117.51 117.45 1ab3 h ILE 81 Ca 0.00 -1.54 0.00 0.00 -0.00 0.00 0.00 64.86 63.32 1ab3 h ILE 81 Cb 0.06 1.89 0.00 0.00 -0.00 0.00 0.00 36.82 38.77 1ab3 h ILE 81 CO 0.00 0.40 -0.06 -1.84 -0.00 0.00 0.00 178.15 176.65 1ab3 n GLU 82 N -3.69 0.12 0.00 0.16 0.28 -0.76 -3.86 120.64 112.89 1ab3 n GLU 82 Ca -0.01 0.09 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 1ab3 n GLU 82 Cb 0.49 -1.63 0.00 0.00 1.43 0.00 0.00 31.44 31.74 1ab3 n GLU 82 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1ab3 n LYS 83 N -1.83 1.28 -0.13 3.44 4.76 -0.65 -4.77 118.16 120.27 1ab3 n LYS 83 Ca 0.06 -0.92 0.04 0.00 -2.87 0.00 0.00 58.31 54.62 1ab3 n LYS 83 Cb 0.38 -0.73 0.11 0.00 -1.84 0.00 0.00 35.03 32.95 1ab3 n LYS 83 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1ab3 n LEU 84 N -0.22 2.64 -3.59 -0.35 4.77 0.29 -4.98 117.00 115.55 1ab3 n LEU 84 Ca 0.00 -2.13 -0.20 0.00 -0.03 0.00 0.00 56.01 53.65 1ab3 n LEU 84 Cb 0.37 -0.18 0.05 0.00 -2.33 0.00 0.00 43.42 41.33 1ab3 n LEU 84 CO 0.00 0.64 -0.01 0.61 -1.33 0.00 0.00 177.39 177.30 1ab3 n GLY 85 N -0.02 -0.38 0.00 -0.72 0.00 -1.26 -4.93 105.19 97.88 1ab3 n GLY 85 Ca 0.08 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1ab3 n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1ab3 n ILE 86 N -4.17 0.00 0.00 -0.61 0.13 -1.25 -4.99 119.36 108.46 1ab3 n ILE 86 Ca -0.28 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.37 1ab3 n ILE 86 Cb 0.67 -0.25 0.00 0.00 -0.84 0.00 0.00 39.64 39.22 1ab3 n ILE 86 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 1ab3 n ARG 87 N -0.27 0.00 0.00 9.51 1.74 -1.26 -4.98 116.66 121.39 1ab3 n ARG 87 Ca 0.00 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.21 1ab3 n ARG 87 Cb 0.00 0.00 0.39 0.00 -1.02 0.00 0.00 32.46 31.83 1ab3 n ARG 87 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52