#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ab3 n ILE 2 N 0.00 0.51 -0.17 0.52 -5.35 -1.26 -4.94 119.36 108.66 1ab3 n ILE 2 Ca 0.00 -0.09 -0.21 0.00 -0.27 0.00 0.00 62.75 62.18 1ab3 n ILE 2 Cb 0.00 -1.96 0.20 0.00 -1.74 0.00 0.00 39.64 36.14 1ab3 n ILE 2 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 1ab3 n THR 3 N 4.92 0.00 0.37 7.28 5.66 -1.26 -4.77 114.28 126.48 1ab3 n THR 3 Ca 0.21 -0.01 -0.18 0.00 -3.05 0.00 0.00 64.05 61.02 1ab3 n THR 3 Cb 0.33 -0.68 -0.09 0.00 -1.55 0.00 0.00 70.33 68.34 1ab3 n THR 3 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1ab3 h LYS 4 N 0.00 -0.88 -0.65 1.09 1.57 -2.03 -2.44 116.57 113.23 1ab3 h LYS 4 Ca -0.27 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1ab3 h LYS 4 Cb 0.90 0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1ab3 h LYS 4 CO 0.16 -0.58 0.00 0.39 -0.57 0.00 0.00 179.45 178.85 1ab3 n GLU 5 N -5.47 2.14 -0.08 3.15 -0.58 -1.26 -3.59 120.64 114.94 1ab3 n GLU 5 Ca -0.14 -1.08 0.11 0.00 -0.42 0.00 0.00 57.16 55.64 1ab3 n GLU 5 Cb 0.37 -1.58 0.37 0.00 -0.57 0.00 0.00 31.44 30.03 1ab3 n GLU 5 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1ab3 n GLU 6 N 0.24 1.77 0.00 3.49 -0.58 -0.92 -4.17 120.64 120.48 1ab3 n GLU 6 Ca 0.10 -1.15 0.00 0.00 -0.42 0.00 0.00 57.16 55.68 1ab3 n GLU 6 Cb 0.47 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.93 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 0.38 0.12 -0.09 3.49 -0.00 -1.24 -4.72 118.16 116.10 1ab3 n LYS 7 Ca 0.16 0.00 0.20 0.00 -0.00 0.00 0.00 58.31 58.67 1ab3 n LYS 7 Cb 0.35 -0.52 0.63 0.00 -0.00 0.00 0.00 35.03 35.49 1ab3 n LYS 7 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 1ab3 h GLN 8 N 0.00 0.15 0.00 -1.58 4.15 -1.72 0.20 115.11 116.31 1ab3 h GLN 8 Ca 0.00 -0.01 -0.16 0.00 0.77 0.00 0.00 58.65 59.25 1ab3 h GLN 8 Cb 0.04 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 1ab3 h GLN 8 CO 0.00 0.10 -0.75 -0.22 -1.93 0.00 0.00 178.83 176.02 1ab3 h LYS 9 N 0.15 0.00 -0.14 1.69 3.64 -1.88 -1.25 116.57 118.78 1ab3 h LYS 9 Ca 0.33 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.59 1ab3 h LYS 9 Cb 1.08 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1ab3 h LYS 9 CO -0.05 0.75 -0.43 0.28 -2.27 0.00 0.00 179.45 177.74 1ab3 h VAL 10 N 0.00 1.32 0.02 2.00 2.07 -0.91 -3.23 116.25 117.52 1ab3 h VAL 10 Ca -0.01 -1.58 -0.29 0.00 0.82 0.00 0.00 66.70 65.64 1ab3 h VAL 10 Cb 1.51 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 32.93 1ab3 h VAL 10 CO 0.10 0.48 -1.57 2.30 0.02 0.00 0.00 177.57 178.89 1ab3 n ILE 11 N -4.01 1.58 -0.58 4.57 -0.00 -0.95 -2.68 119.36 117.29 1ab3 n ILE 11 Ca -0.02 -0.20 0.45 0.00 -0.00 0.00 0.00 62.75 62.99 1ab3 n ILE 11 Cb 0.50 -1.95 0.71 0.00 -0.00 0.00 0.00 39.64 38.90 1ab3 n ILE 11 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1ab3 n GLN 12 N -4.21 -0.01 -0.00 6.28 10.64 -0.47 0.28 117.38 129.88 1ab3 n GLN 12 Ca -0.35 1.07 -0.21 0.00 -1.83 0.00 0.00 57.00 55.68 1ab3 n GLN 12 Cb 0.78 -2.32 -0.14 0.00 -0.86 0.00 0.00 30.24 27.70 1ab3 n GLN 12 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1ab3 n GLU 13 N -4.10 0.75 -0.02 2.61 1.02 -1.22 -4.66 120.64 115.02 1ab3 n GLU 13 Ca 0.40 0.27 -0.01 0.00 -0.02 0.00 0.00 57.16 57.79 1ab3 n GLU 13 Cb 1.72 -1.70 -0.00 0.00 -0.02 0.00 0.00 31.44 31.43 1ab3 n GLU 13 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 1ab3 h PHE 14 N 0.04 0.00 -2.92 -0.32 -1.00 0.41 -3.46 116.94 109.69 1ab3 h PHE 14 Ca -0.43 0.00 -0.52 0.00 2.81 0.00 0.00 57.97 59.83 1ab3 h PHE 14 Cb 2.01 0.00 0.06 0.00 3.61 0.00 0.00 35.95 41.62 1ab3 h PHE 14 CO 0.08 0.00 0.90 0.00 -1.61 0.00 0.00 178.31 177.68 1ab3 s ALA 15 N -2.92 3.80 -0.35 2.45 0.00 0.82 -4.86 121.76 120.69 1ab3 s ALA 15 Ca -0.04 1.46 0.04 0.00 0.00 0.00 0.00 51.96 53.43 1ab3 s ALA 15 Cb 0.00 -3.64 0.51 0.00 0.00 0.00 0.00 23.12 20.00 1ab3 s ALA 15 CO 0.05 -0.85 1.61 2.89 0.00 0.00 0.00 175.76 179.47 1ab3 n ARG 16 N 3.50 2.33 -3.63 0.00 0.00 -1.26 -4.07 116.66 113.53 1ab3 n ARG 16 Ca 0.13 -2.21 0.01 0.00 -0.00 0.00 0.00 57.85 55.77 1ab3 n ARG 16 Cb 0.38 -1.90 -0.00 0.00 -0.00 0.00 0.00 32.46 30.93 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 -2.38 -0.05 -1.87 2.89 0.08 -1.26 -4.90 117.98 110.49 1ab3 s PHE 17 Ca 0.41 -0.07 0.21 0.00 0.12 0.00 0.00 56.93 57.60 1ab3 s PHE 17 Cb 0.34 0.55 1.19 0.00 -0.57 0.00 0.00 43.02 44.53 1ab3 s PHE 17 CO 0.09 -0.32 1.62 -0.35 -0.10 0.00 0.00 175.22 176.16 1ab3 n PRO 18 N -0.49 0.57 0.00 0.24 -0.04 -1.26 -2.50 135.00 131.51 1ab3 n PRO 18 Ca -0.08 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1ab3 n PRO 18 Cb 0.63 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 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 0.32 -0.07 1.31 0.55 0.00 -1.26 -4.70 105.19 101.34 1ab3 n GLY 19 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.18 1ab3 n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ab3 n ASP 20 N -0.09 3.55 0.01 1.61 -0.08 -1.04 -3.58 116.55 116.93 1ab3 n ASP 20 Ca 0.00 -2.55 0.11 0.00 -1.51 0.00 0.00 54.79 50.84 1ab3 n ASP 20 Cb 0.10 -0.61 -0.14 0.00 2.34 0.00 0.00 41.12 42.81 1ab3 n ASP 20 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1ab3 n THR 21 N 0.24 0.12 0.83 5.18 5.66 -1.26 -3.92 114.28 121.14 1ab3 n THR 21 Ca 0.17 -0.50 0.13 0.00 -3.05 0.00 0.00 64.05 60.80 1ab3 n THR 21 Cb 0.81 -0.06 0.39 0.00 -1.55 0.00 0.00 70.33 69.92 1ab3 n THR 21 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ab3 n GLY 22 N 1.25 -1.46 3.59 1.09 0.00 -1.23 -4.12 105.19 104.31 1ab3 n GLY 22 Ca -0.03 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1ab3 n GLY 22 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ab3 n SER 23 N -1.79 0.99 -0.02 1.61 2.88 -1.25 -4.73 113.62 111.31 1ab3 n SER 23 Ca 0.06 1.03 0.23 0.00 -1.33 0.00 0.00 58.87 58.86 1ab3 n SER 23 Cb 0.38 -1.32 0.72 0.00 -0.75 0.00 0.00 64.21 63.24 1ab3 n SER 23 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1ab3 h THR 24 N 1.46 0.44 0.00 2.46 2.02 -1.94 -2.04 112.91 115.31 1ab3 h THR 24 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1ab3 h THR 24 Cb 1.35 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1ab3 h THR 24 CO 0.56 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 175.83 1ab3 n GLU 25 N -3.92 0.00 -0.27 6.66 1.02 -1.26 -1.66 120.64 121.21 1ab3 n GLU 25 Ca 0.12 0.49 0.33 0.00 -0.02 0.00 0.00 57.16 58.08 1ab3 n GLU 25 Cb 0.78 -1.27 0.64 0.00 -0.02 0.00 0.00 31.44 31.57 1ab3 n GLU 25 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ab3 h VAL 26 N 0.00 0.16 0.07 2.62 2.07 -1.73 0.46 116.25 119.90 1ab3 h VAL 26 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1ab3 h VAL 26 Cb 0.00 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 1ab3 h VAL 26 CO 0.00 0.00 -0.03 1.56 0.02 0.00 0.00 177.57 179.12 1ab3 h GLN 27 N 0.00 -0.09 -1.17 1.57 1.08 -1.26 -2.12 115.11 113.12 1ab3 h GLN 27 Ca 0.53 0.01 0.33 0.00 -1.45 0.00 0.00 58.65 58.07 1ab3 h GLN 27 Cb 2.58 0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 29.96 1ab3 h GLN 27 CO -0.01 0.42 0.81 0.28 -0.95 0.00 0.00 178.83 179.39 1ab3 h VAL 28 N -0.68 0.41 -0.19 -0.54 2.07 0.85 1.12 116.25 119.29 1ab3 h VAL 28 Ca -0.01 -0.04 -0.09 0.00 0.82 0.00 0.00 66.70 67.38 1ab3 h VAL 28 Cb 0.56 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1ab3 h VAL 28 CO 0.02 0.02 -0.23 0.00 0.02 0.00 0.00 177.57 177.39 1ab3 h ALA 29 N 1.47 0.29 0.00 1.67 0.00 -1.19 -1.99 119.26 119.52 1ab3 h ALA 29 Ca 0.60 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1ab3 h ALA 29 Cb 2.10 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.83 1ab3 h ALA 29 CO -0.12 0.25 0.00 1.47 0.00 0.00 0.00 179.25 180.85 1ab3 n LEU 30 N -4.41 0.00 0.08 0.00 -0.00 0.35 -1.82 117.00 111.20 1ab3 n LEU 30 Ca -0.06 0.47 -0.06 0.00 -0.00 0.00 0.00 56.01 56.37 1ab3 n LEU 30 Cb 0.43 -0.47 0.09 0.00 -0.00 0.00 0.00 43.42 43.47 1ab3 n LEU 30 CO 0.42 -0.26 0.43 0.17 -0.00 0.00 0.00 177.39 178.15 1ab3 h LEU 31 N 0.00 0.28 -0.17 1.47 8.10 0.35 -3.05 115.31 122.29 1ab3 h LEU 31 Ca 0.00 -0.17 -0.23 0.00 0.11 0.00 0.00 57.88 57.59 1ab3 h LEU 31 Cb 0.21 -0.08 0.01 0.00 -0.44 0.00 0.00 40.66 40.36 1ab3 h LEU 31 CO 0.00 0.86 -0.89 0.00 -4.11 0.00 0.00 178.44 174.30 1ab3 h THR 32 N 0.17 1.33 0.53 0.15 1.03 -1.36 -3.13 112.91 111.64 1ab3 h THR 32 Ca -0.01 -2.21 -0.02 0.00 -0.01 0.00 0.00 66.41 64.17 1ab3 h THR 32 Cb 1.18 2.23 -0.02 0.00 -1.07 0.00 0.00 68.15 70.47 1ab3 h THR 32 CO 0.10 0.68 -0.48 0.25 -0.01 0.00 0.00 175.52 176.06 1ab3 h LEU 33 N 0.37 -1.29 -1.66 0.00 6.46 -1.54 0.80 115.31 118.45 1ab3 h LEU 33 Ca -0.08 0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1ab3 h LEU 33 Cb 1.51 0.42 0.00 0.00 -0.73 0.00 0.00 40.66 41.86 1ab3 h LEU 33 CO 0.17 -0.65 0.14 0.03 -0.62 0.00 0.00 178.44 177.50 1ab3 h ARG 34 N -1.00 0.00 0.02 1.25 2.47 -1.62 -1.29 114.38 114.21 1ab3 h ARG 34 Ca -0.06 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.66 1ab3 h ARG 34 Cb 0.86 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.18 1ab3 h ARG 34 CO -0.03 0.00 -0.01 0.82 0.56 0.00 0.00 179.97 181.31 1ab3 h ILE 35 N 0.00 1.46 -0.74 2.04 5.03 -0.82 -2.61 117.51 121.87 1ab3 h ILE 35 Ca 0.00 -1.85 -0.02 0.00 -0.12 0.00 0.00 64.86 62.87 1ab3 h ILE 35 Cb 0.28 2.65 -0.04 0.00 -3.03 0.00 0.00 36.82 36.68 1ab3 h ILE 35 CO 0.00 0.45 0.38 -0.55 -0.68 0.00 0.00 178.15 177.75 1ab3 h ASN 36 N -0.88 0.94 -0.24 1.72 7.08 -0.26 -0.84 115.58 123.11 1ab3 h ASN 36 Ca -0.00 -0.09 0.00 0.00 -3.08 0.00 0.00 56.30 53.12 1ab3 h ASN 36 Cb 0.76 -0.24 0.00 0.00 -2.08 0.00 0.00 38.32 36.76 1ab3 h ASN 36 CO 0.00 0.78 0.00 0.54 -2.08 0.00 0.00 177.43 176.68 1ab3 n ARG 37 N -4.34 1.65 -0.01 4.14 1.74 -0.88 -3.59 116.66 115.37 1ab3 n ARG 37 Ca 0.07 -0.90 -0.20 0.00 -0.77 0.00 0.00 57.85 56.06 1ab3 n ARG 37 Cb 0.12 -1.26 -0.14 0.00 -1.02 0.00 0.00 32.46 30.17 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 0.21 2.51 0.27 0.55 -0.00 -0.33 -4.00 117.00 116.22 1ab3 n LEU 38 Ca 0.08 0.18 0.14 0.00 -0.00 0.00 0.00 56.01 56.42 1ab3 n LEU 38 Cb 0.25 -0.98 0.79 0.00 -0.00 0.00 0.00 43.42 43.48 1ab3 n LEU 38 CO 0.06 0.82 1.01 -1.28 -0.00 0.00 0.00 177.39 178.01 1ab3 h SER 39 N 0.06 0.00 -0.34 1.96 0.87 -1.61 -1.33 113.55 113.16 1ab3 h SER 39 Ca -0.43 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.10 1ab3 h SER 39 Cb 2.02 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.97 1ab3 h SER 39 CO 0.07 0.09 0.03 -0.62 -0.53 0.00 0.00 176.83 175.86 1ab3 n GLU 40 N -3.57 3.05 0.00 2.24 -0.58 -1.26 -4.12 120.64 116.41 1ab3 n GLU 40 Ca -0.02 -1.74 0.00 0.00 -0.42 0.00 0.00 57.16 54.98 1ab3 n GLU 40 Cb 0.21 -1.91 0.00 0.00 -0.57 0.00 0.00 31.44 29.18 1ab3 n GLU 40 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1ab3 n HIS 41 N 0.29 0.00 0.73 -0.32 8.25 -0.50 -4.13 115.22 119.53 1ab3 n HIS 41 Ca 0.17 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.70 1ab3 n HIS 41 Cb 0.81 0.00 0.38 0.00 1.12 0.00 0.00 29.99 32.30 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 -0.16 0.00 -0.64 2.41 4.32 -1.26 -1.73 117.00 119.94 1ab3 n LEU 42 Ca 0.00 0.24 0.02 0.00 -0.02 0.00 0.00 56.01 56.25 1ab3 n LEU 42 Cb 0.00 -0.24 0.07 0.00 -1.62 0.00 0.00 43.42 41.63 1ab3 n LEU 42 CO 0.00 -0.13 0.42 0.29 -1.22 0.00 0.00 177.39 176.75 1ab3 n LYS 43 N -1.24 1.65 0.00 3.23 5.02 -1.26 -4.03 118.16 121.53 1ab3 n LYS 43 Ca 0.08 -0.59 0.00 0.00 -2.02 0.00 0.00 58.31 55.78 1ab3 n LYS 43 Cb 0.11 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 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 0.07 0.00 0.00 -0.18 0.31 -1.06 -4.99 118.33 112.48 1ab3 n VAL 44 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1ab3 n VAL 44 Cb 0.35 -0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.28 1ab3 n VAL 44 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1ab3 n HIS 45 N -1.50 0.00 -1.34 3.52 8.25 -0.71 -4.69 115.22 118.75 1ab3 n HIS 45 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 1ab3 n HIS 45 Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 1ab3 n HIS 45 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1ab3 n LYS 46 N 0.00 -1.46 0.00 -0.41 5.02 -1.26 -4.65 118.16 115.40 1ab3 n LYS 46 Ca 0.00 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 57.13 1ab3 n LYS 46 Cb 0.00 -5.09 0.00 0.00 -0.02 0.00 0.00 35.03 29.92 1ab3 n LYS 46 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1ab3 n LYS 47 N -1.58 0.00 0.00 1.97 -0.00 -1.26 -5.04 118.16 112.26 1ab3 n LYS 47 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.18 1ab3 n LYS 47 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.53 1ab3 n LYS 47 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1ab3 n ASP 48 N 0.00 0.00 0.00 -5.58 -0.08 -1.26 -5.01 116.55 104.61 1ab3 n ASP 48 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1ab3 n ASP 48 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1ab3 n ASP 48 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 1ab3 n HIS 49 N -0.72 0.00 -1.68 -0.67 -0.00 -1.26 -4.96 115.22 105.93 1ab3 n HIS 49 Ca 0.00 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.05 1ab3 n HIS 49 Cb 0.00 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 29.83 1ab3 n HIS 49 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1ab3 n HIS 50 N 0.00 -0.21 -1.48 1.57 8.25 -1.26 -4.89 115.22 117.20 1ab3 n HIS 50 Ca 0.00 0.00 -0.53 0.00 -0.26 0.00 0.00 57.72 56.93 1ab3 n HIS 50 Cb 0.00 -2.53 -0.05 0.00 1.12 0.00 0.00 29.99 28.52 1ab3 n HIS 50 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1ab3 n SER 51 N -0.24 -0.16 0.00 0.41 7.64 -1.26 -4.78 113.62 115.24 1ab3 n SER 51 Ca -0.14 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.89 1ab3 n SER 51 Cb 0.49 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 1ab3 n SER 51 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1ab3 n HIS 52 N 0.96 0.00 0.10 1.43 -0.00 -1.26 -4.91 115.22 111.53 1ab3 n HIS 52 Ca 0.18 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.32 1ab3 n HIS 52 Cb 0.18 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.02 1ab3 n HIS 52 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1ab3 h ARG 53 N 0.00 -0.26 -0.67 1.57 -0.00 -2.01 -3.38 114.38 109.63 1ab3 h ARG 53 Ca 0.00 0.02 -0.36 0.00 -0.50 0.00 0.00 59.98 59.14 1ab3 h ARG 53 Cb 0.00 0.06 -0.41 0.00 0.00 0.00 0.00 29.97 29.62 1ab3 h ARG 53 CO 0.00 -0.18 -1.02 0.41 0.00 0.00 0.00 179.97 179.18 1ab3 n GLY 54 N -1.14 3.27 1.68 0.04 0.00 -1.26 -4.86 105.19 102.91 1ab3 n GLY 54 Ca -0.03 -1.64 -0.13 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.55 5.32 -0.07 0.99 4.77 -1.26 -3.93 117.00 122.27 1ab3 n LEU 55 Ca 0.19 -2.75 -0.11 0.00 -0.03 0.00 0.00 56.01 53.31 1ab3 n LEU 55 Cb 0.84 -0.79 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 1ab3 n LEU 55 CO 0.20 0.91 -0.96 0.18 -1.33 0.00 0.00 177.39 176.40 1ab3 n LEU 56 N -0.06 2.66 -0.33 2.23 4.77 -1.26 -4.52 117.00 120.49 1ab3 n LEU 56 Ca 0.29 -0.03 0.25 0.00 -0.03 0.00 0.00 56.01 56.49 1ab3 n LEU 56 Cb 0.90 -0.47 0.55 0.00 -2.33 0.00 0.00 43.42 42.07 1ab3 n LEU 56 CO 0.32 0.66 1.23 -0.03 -1.33 0.00 0.00 177.39 178.24 1ab3 h MET 57 N -0.09 0.31 -0.28 3.23 4.05 -1.96 0.19 114.93 120.39 1ab3 h MET 57 Ca -0.32 -0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.12 1ab3 h MET 57 Cb 1.45 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 32.15 1ab3 h MET 57 CO -0.08 0.20 0.07 0.52 0.23 0.00 0.00 176.91 177.86 1ab3 h MET 58 N 0.32 0.18 -0.72 0.39 2.86 -1.82 1.05 114.93 117.18 1ab3 h MET 58 Ca 0.60 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 58.16 1ab3 h MET 58 Cb 1.67 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 33.26 1ab3 h MET 58 CO -0.27 0.12 0.18 0.28 1.06 0.00 0.00 176.91 178.28 1ab3 h VAL 59 N 0.19 1.26 -0.20 -2.22 2.07 -0.90 -1.60 116.25 114.85 1ab3 h VAL 59 Ca 0.13 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1ab3 h VAL 59 Cb 0.12 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1ab3 h VAL 59 CO -0.15 0.38 0.00 0.61 0.02 0.00 0.00 177.57 178.42 1ab3 n GLY 60 N -0.68 0.09 1.28 2.17 0.00 -0.76 -3.75 105.19 103.54 1ab3 n GLY 60 Ca 0.05 -0.30 0.04 0.00 0.00 0.00 0.00 46.02 45.81 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 0.15 3.18 0.00 1.61 1.13 0.35 -3.59 117.38 120.21 1ab3 n GLN 61 Ca 0.12 -1.76 0.00 0.00 -1.94 0.00 0.00 57.00 53.41 1ab3 n GLN 61 Cb 0.23 -1.93 0.00 0.00 0.11 0.00 0.00 30.24 28.66 1ab3 n GLN 61 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1ab3 n ARG 62 N 0.35 4.46 0.00 -1.09 0.63 -1.25 -3.99 116.66 115.78 1ab3 n ARG 62 Ca 0.16 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 57.13 1ab3 n ARG 62 Cb 0.78 -0.59 0.18 0.00 0.45 0.00 0.00 32.46 33.28 1ab3 n ARG 62 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1ab3 n ARG 63 N -1.01 0.01 -1.64 -0.14 0.63 -1.24 -3.55 116.66 109.73 1ab3 n ARG 63 Ca 0.00 0.34 -0.03 0.00 -0.92 0.00 0.00 57.85 57.24 1ab3 n ARG 63 Cb 0.00 -1.50 0.03 0.00 0.45 0.00 0.00 32.46 31.44 1ab3 n ARG 63 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1ab3 n ARG 64 N -1.48 0.51 0.20 -0.14 0.63 -1.26 -4.95 116.66 110.17 1ab3 n ARG 64 Ca 0.02 -0.74 0.13 0.00 -0.92 0.00 0.00 57.85 56.35 1ab3 n ARG 64 Cb 0.09 0.38 0.69 0.00 0.45 0.00 0.00 32.46 34.07 1ab3 n ARG 64 CO 0.00 0.00 0.00 1.37 -2.51 0.00 0.00 177.63 176.49 1ab3 h LEU 65 N 0.37 0.00 -1.41 6.15 -0.00 -1.69 -1.35 115.31 117.39 1ab3 h LEU 65 Ca -0.33 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.52 1ab3 h LEU 65 Cb 1.15 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.80 1ab3 h LEU 65 CO -0.15 0.00 0.11 0.17 -0.00 0.00 0.00 178.44 178.56 1ab3 h LEU 66 N 0.00 0.46 -1.59 0.17 -0.00 -1.92 -1.63 115.31 110.81 1ab3 h LEU 66 Ca 0.00 -0.05 0.02 0.00 -0.00 0.00 0.00 57.88 57.85 1ab3 h LEU 66 Cb 0.03 -0.12 -0.00 0.00 -0.00 0.00 0.00 40.66 40.57 1ab3 h LEU 66 CO 0.00 0.45 0.50 -0.09 -0.00 0.00 0.00 178.44 179.29 1ab3 h ARG 67 N 0.50 0.00 0.00 0.17 2.43 -1.61 0.28 114.38 116.15 1ab3 h ARG 67 Ca 0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1ab3 h ARG 67 Cb 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1ab3 h ARG 67 CO -0.01 0.00 0.00 0.98 -1.51 0.00 0.00 179.97 179.43 1ab3 n TYR 68 N -2.91 0.00 0.04 2.20 4.19 -0.61 -3.97 117.16 116.10 1ab3 n TYR 68 Ca 0.00 0.00 -0.09 0.00 3.31 0.00 0.00 57.90 61.12 1ab3 n TYR 68 Cb 0.56 -0.25 -0.06 0.00 0.49 0.00 0.00 39.34 40.07 1ab3 n TYR 68 CO 0.00 0.00 0.00 1.25 0.91 0.00 0.00 176.86 179.02 1ab3 h LEU 69 N 0.00 -0.17 -1.61 2.98 5.85 -1.58 -2.57 115.31 118.20 1ab3 h LEU 69 Ca 0.00 -0.32 0.19 0.00 0.84 0.00 0.00 57.88 58.59 1ab3 h LEU 69 Cb 0.00 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1ab3 h LEU 69 CO 0.00 0.41 0.75 -0.61 -0.34 0.00 0.00 178.44 178.65 1ab3 h GLN 70 N -0.94 0.00 0.11 1.25 -0.00 -0.62 0.38 115.11 115.28 1ab3 h GLN 70 Ca -0.02 0.00 -0.31 0.00 -0.00 0.00 0.00 58.65 58.32 1ab3 h GLN 70 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.94 1ab3 h GLN 70 CO 0.03 0.00 -1.57 0.00 0.00 0.00 0.00 178.83 177.29 1ab3 h ARG 71 N 0.00 0.23 -0.78 1.69 2.47 -1.35 -3.29 114.38 113.35 1ab3 h ARG 71 Ca 0.30 -0.39 0.00 0.00 -1.26 0.00 0.00 59.98 58.63 1ab3 h ARG 71 Cb 1.79 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 30.26 1ab3 h ARG 71 CO -0.00 1.07 0.00 0.39 0.56 0.00 0.00 179.97 181.99 1ab3 n GLU 72 N -3.42 2.24 0.00 0.04 1.02 0.13 -4.74 120.64 115.91 1ab3 n GLU 72 Ca -0.17 -1.05 0.00 0.00 -0.02 0.00 0.00 57.16 55.92 1ab3 n GLU 72 Cb 1.04 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.77 1ab3 n GLU 72 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1ab3 n ASP 73 N 0.22 0.00 0.17 1.62 9.92 -0.89 -4.96 116.55 122.62 1ab3 n ASP 73 Ca 0.09 0.00 0.05 0.00 -0.53 0.00 0.00 54.79 54.40 1ab3 n ASP 73 Cb 0.53 0.00 0.24 0.00 -0.64 0.00 0.00 41.12 41.25 1ab3 n ASP 73 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1ab3 h PRO 74 N 0.00 0.00 0.02 -0.24 0.13 -1.82 -2.97 132.00 127.12 1ab3 h PRO 74 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 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 0.42 -0.48 0.93 -0.23 0.00 0.00 178.00 178.64 1ab3 h GLU 75 N 0.00 0.29 -0.95 0.86 4.39 -1.94 -3.06 114.58 114.17 1ab3 h GLU 75 Ca -0.00 -0.34 0.23 0.00 0.34 0.00 0.00 59.36 59.59 1ab3 h GLU 75 Cb 1.06 0.10 -0.12 0.00 -0.10 0.00 0.00 28.75 29.69 1ab3 h GLU 75 CO 0.05 1.05 0.49 0.00 -1.16 0.00 0.00 179.01 179.45 1ab3 h ARG 76 N -0.33 0.47 0.00 2.33 2.47 -1.89 -3.39 114.38 114.05 1ab3 h ARG 76 Ca -0.07 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.63 1ab3 h ARG 76 Cb 1.24 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.45 1ab3 h ARG 76 CO 0.09 0.31 0.00 0.98 0.56 0.00 0.00 179.97 181.91 1ab3 n TYR 77 N -4.97 -1.64 -1.89 3.04 9.36 -1.13 -3.49 117.16 116.45 1ab3 n TYR 77 Ca 0.24 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.37 1ab3 n TYR 77 Cb 0.70 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.39 1ab3 n TYR 77 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1ab3 n ARG 78 N -1.10 -1.83 0.00 2.98 3.00 -1.26 -4.61 116.66 113.83 1ab3 n ARG 78 Ca 0.00 0.50 0.00 0.00 -0.01 0.00 0.00 57.85 58.34 1ab3 n ARG 78 Cb 0.00 -4.88 0.00 0.00 0.00 0.00 0.00 32.46 27.58 1ab3 n ARG 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ab3 n ALA 79 N -1.16 2.66 1.26 7.54 0.00 -1.23 -4.79 120.51 124.80 1ab3 n ALA 79 Ca -0.10 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.42 1ab3 n ALA 79 Cb 0.45 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.42 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 -2.00 0.00 0.06 0.00 4.32 -1.26 -2.33 117.00 115.80 1ab3 n LEU 80 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.90 1ab3 n LEU 80 Cb 0.00 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 41.84 1ab3 n LEU 80 CO 0.00 0.00 0.36 0.16 -1.22 0.00 0.00 177.39 176.69 1ab3 h ILE 81 N 0.00 1.40 -0.01 -0.08 -0.00 -1.90 -2.70 117.51 114.21 1ab3 h ILE 81 Ca 0.00 -2.19 0.00 0.00 -0.00 0.00 0.00 64.86 62.67 1ab3 h ILE 81 Cb 0.00 2.16 0.00 0.00 -0.00 0.00 0.00 36.82 38.98 1ab3 h ILE 81 CO 0.00 0.65 -0.04 -0.62 -0.00 0.00 0.00 178.15 178.15 1ab3 n GLU 82 N -3.81 1.59 -0.84 0.16 1.02 -0.98 -3.87 120.64 113.90 1ab3 n GLU 82 Ca -0.04 -0.96 0.05 0.00 -0.02 0.00 0.00 57.16 56.20 1ab3 n GLU 82 Cb 0.71 -1.48 0.15 0.00 -0.02 0.00 0.00 31.44 30.80 1ab3 n GLU 82 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ab3 n LYS 83 N 0.13 1.11 0.12 3.49 5.02 -1.06 -4.89 118.16 122.07 1ab3 n LYS 83 Ca 0.18 -2.88 0.00 0.00 -2.02 0.00 0.00 58.31 53.58 1ab3 n LYS 83 Cb 0.37 -1.14 0.00 0.00 -0.02 0.00 0.00 35.03 34.24 1ab3 n LYS 83 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ab3 n LEU 84 N -0.65 -0.89 0.00 -0.35 4.77 -1.04 -4.98 117.00 113.86 1ab3 n LEU 84 Ca 0.15 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 1ab3 n LEU 84 Cb 0.82 0.99 0.00 0.00 -2.33 0.00 0.00 43.42 42.90 1ab3 n LEU 84 CO -0.04 -0.49 0.00 0.61 -1.33 0.00 0.00 177.39 176.14 1ab3 n GLY 85 N 0.70 -0.01 0.00 -0.72 0.00 -1.26 -5.00 105.19 98.89 1ab3 n GLY 85 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 0.00 -0.61 0.13 -1.25 -4.96 119.36 112.67 1ab3 n ILE 86 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1ab3 n ILE 86 Cb 0.00 -0.28 0.00 0.00 -0.84 0.00 0.00 39.64 38.52 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 -0.39 0.00 -0.96 9.51 1.74 -1.26 -4.98 116.66 120.31 1ab3 n ARG 87 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1ab3 n ARG 87 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1ab3 n ARG 87 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52