#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 0.05 -2.55 0.52 -5.35 -1.26 -4.68 119.36 106.09 1ab3 n ILE 2 Ca 0.00 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 1ab3 n ILE 2 Cb 0.00 -0.63 0.00 0.00 -1.74 0.00 0.00 39.64 37.27 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 2.70 0.00 0.00 7.28 5.66 -1.26 -4.94 114.28 123.73 1ab3 n THR 3 Ca 0.21 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.21 1ab3 n THR 3 Cb 0.13 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.91 1ab3 n THR 3 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1ab3 n LYS 4 N 0.00 0.00 -0.40 1.09 4.81 -1.26 -2.36 118.16 120.04 1ab3 n LYS 4 Ca 0.00 0.08 0.04 0.00 -0.87 0.00 0.00 58.31 57.56 1ab3 n LYS 4 Cb 0.00 -0.58 0.20 0.00 0.02 0.00 0.00 35.03 34.67 1ab3 n LYS 4 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1ab3 n GLU 5 N -0.16 2.76 -0.03 1.64 1.02 -1.26 -3.77 120.64 120.84 1ab3 n GLU 5 Ca 0.00 -1.54 0.13 0.00 -0.02 0.00 0.00 57.16 55.72 1ab3 n GLU 5 Cb 0.00 -1.77 0.50 0.00 -0.02 0.00 0.00 31.44 30.15 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 0.37 1.62 0.00 3.49 -0.58 -0.99 -3.74 120.64 120.80 1ab3 n GLU 6 Ca 0.14 -0.91 0.00 0.00 -0.42 0.00 0.00 57.16 55.97 1ab3 n GLU 6 Cb 0.65 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 30.08 1ab3 n GLU 6 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1ab3 n LYS 7 N 0.11 1.19 -0.25 3.49 4.76 -1.21 -4.25 118.16 122.00 1ab3 n LYS 7 Ca 0.18 -0.07 0.21 0.00 -2.87 0.00 0.00 58.31 55.76 1ab3 n LYS 7 Cb 0.32 -0.38 0.54 0.00 -1.84 0.00 0.00 35.03 33.67 1ab3 n LYS 7 CO 0.00 0.00 0.00 -0.56 -1.37 0.00 0.00 177.40 175.47 1ab3 h GLN 8 N 0.00 0.33 0.00 1.97 3.07 -1.73 -3.38 115.11 115.38 1ab3 h GLN 8 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.72 1ab3 h GLN 8 Cb 0.14 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 27.63 1ab3 h GLN 8 CO 0.00 0.22 0.00 1.17 0.09 0.00 0.00 178.83 180.31 1ab3 n LYS 9 N -4.49 0.00 0.00 0.06 4.81 -1.26 -5.01 118.16 112.27 1ab3 n LYS 9 Ca 0.20 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.64 1ab3 n LYS 9 Cb 0.77 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.82 1ab3 n LYS 9 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1ab3 h VAL 10 N 0.00 0.00 -0.00 3.15 2.07 -1.78 -3.30 116.25 116.39 1ab3 h VAL 10 Ca 0.00 -0.17 -0.10 0.00 0.82 0.00 0.00 66.70 67.25 1ab3 h VAL 10 Cb 0.00 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 29.78 1ab3 h VAL 10 CO 0.00 0.00 -0.40 0.16 0.02 0.00 0.00 177.57 177.35 1ab3 h ILE 11 N -0.20 1.50 -1.28 4.57 -2.65 -1.90 -1.47 117.51 116.08 1ab3 h ILE 11 Ca -0.00 -2.01 0.44 0.00 1.03 0.00 0.00 64.86 64.32 1ab3 h ILE 11 Cb 0.02 2.70 -0.12 0.00 -2.05 0.00 0.00 36.82 37.36 1ab3 h ILE 11 CO 0.00 0.56 0.83 0.00 0.03 0.00 0.00 178.15 179.58 1ab3 n GLN 12 N -4.38 -0.03 -0.01 0.16 1.13 -1.26 0.28 117.38 113.26 1ab3 n GLN 12 Ca -0.10 1.13 -0.18 0.00 -1.94 0.00 0.00 57.00 55.91 1ab3 n GLN 12 Cb 0.58 -2.25 -0.14 0.00 0.11 0.00 0.00 30.24 28.54 1ab3 n GLN 12 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1ab3 n GLU 13 N -4.48 0.72 -0.01 -1.09 2.13 -1.20 -4.65 120.64 112.07 1ab3 n GLU 13 Ca 0.37 0.26 -0.01 0.00 0.66 0.00 0.00 57.16 58.44 1ab3 n GLU 13 Cb 1.45 -1.71 -0.00 0.00 0.27 0.00 0.00 31.44 31.44 1ab3 n GLU 13 CO 0.00 0.00 0.00 0.74 -0.41 0.00 0.00 177.13 177.46 1ab3 h PHE 14 N 0.05 0.00 -2.25 4.31 -1.00 0.49 -3.45 116.94 115.09 1ab3 h PHE 14 Ca -0.41 0.00 -0.55 0.00 2.81 0.00 0.00 57.97 59.82 1ab3 h PHE 14 Cb 2.03 0.00 0.02 0.00 3.61 0.00 0.00 35.95 41.60 1ab3 h PHE 14 CO 0.06 0.00 1.27 0.00 -1.61 0.00 0.00 178.31 178.03 1ab3 n ALA 15 N -2.44 1.56 -0.52 2.45 0.00 0.79 -4.82 120.51 117.54 1ab3 n ALA 15 Ca -0.01 0.13 -0.16 0.00 0.00 0.00 0.00 53.44 53.41 1ab3 n ALA 15 Cb 0.04 -2.71 0.13 0.00 0.00 0.00 0.00 19.45 16.91 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 7.69 1.92 -3.75 0.00 0.00 -1.26 -4.27 116.66 116.99 1ab3 n ARG 16 Ca 0.22 -2.07 -0.04 0.00 -0.00 0.00 0.00 57.85 55.97 1ab3 n ARG 16 Cb 0.40 -1.82 -0.01 0.00 -0.00 0.00 0.00 32.46 31.03 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 -2.26 -0.14 -2.00 2.89 0.08 -1.26 -4.94 117.98 110.35 1ab3 s PHE 17 Ca 0.39 -0.16 0.18 0.00 0.12 0.00 0.00 56.93 57.45 1ab3 s PHE 17 Cb 0.33 0.64 1.05 0.00 -0.57 0.00 0.00 43.02 44.47 1ab3 s PHE 17 CO 0.08 -0.83 1.51 -0.35 -0.10 0.00 0.00 175.22 175.53 1ab3 n PRO 18 N -0.46 0.74 0.00 0.24 -0.04 -1.26 -2.64 135.00 131.58 1ab3 n PRO 18 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1ab3 n PRO 18 Cb 0.61 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 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 0.42 0.15 1.16 0.55 0.00 -1.26 -4.72 105.19 101.48 1ab3 n GLY 19 Ca 0.13 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.02 3.30 0.08 1.61 -0.08 -1.08 -3.66 116.55 116.70 1ab3 n ASP 20 Ca 0.00 -2.43 0.06 0.00 -1.51 0.00 0.00 54.79 50.92 1ab3 n ASP 20 Cb 0.15 -0.56 -0.03 0.00 2.34 0.00 0.00 41.12 43.02 1ab3 n ASP 20 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ab3 h THR 21 N 2.10 0.23 -0.02 5.18 1.03 -1.85 -3.29 112.91 116.29 1ab3 h THR 21 Ca 0.00 -1.44 0.00 0.00 -0.01 0.00 0.00 66.41 64.96 1ab3 h THR 21 Cb 1.18 1.75 0.00 0.00 -1.07 0.00 0.00 68.15 70.02 1ab3 h THR 21 CO 0.23 0.13 -0.38 0.61 -0.01 0.00 0.00 175.52 176.09 1ab3 n GLY 22 N 1.27 0.03 3.68 2.99 0.00 -1.24 -4.52 105.19 107.39 1ab3 n GLY 22 Ca -0.04 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 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 0.02 2.43 0.25 1.61 2.88 -1.24 -4.77 113.62 114.81 1ab3 n SER 23 Ca 0.10 1.17 0.15 0.00 -1.33 0.00 0.00 58.87 58.96 1ab3 n SER 23 Cb 0.46 -1.45 0.79 0.00 -0.75 0.00 0.00 64.21 63.25 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 2.31 0.00 -0.01 2.46 2.02 -1.93 -0.94 112.91 116.82 1ab3 h THR 24 Ca -0.46 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.68 1ab3 h THR 24 Cb 1.30 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1ab3 h THR 24 CO 0.61 0.00 -0.16 -0.33 0.37 0.00 0.00 175.52 176.01 1ab3 h GLU 25 N 0.00 0.13 -0.46 6.66 5.08 -1.93 -1.60 114.58 122.46 1ab3 h GLU 25 Ca 0.00 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 1ab3 h GLU 25 Cb 0.24 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1ab3 h GLU 25 CO 0.00 0.83 -0.02 0.28 -1.00 0.00 0.00 179.01 179.11 1ab3 h VAL 26 N -0.52 1.24 -0.09 3.13 2.07 -1.45 -2.68 116.25 117.95 1ab3 h VAL 26 Ca -0.02 -1.02 -0.04 0.00 0.82 0.00 0.00 66.70 66.44 1ab3 h VAL 26 Cb 0.88 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1ab3 h VAL 26 CO 0.03 0.36 -0.11 0.06 0.02 0.00 0.00 177.57 177.93 1ab3 h GLN 27 N 0.72 0.24 -1.07 1.57 3.07 -1.46 -2.42 115.11 115.77 1ab3 h GLN 27 Ca 0.14 -0.13 0.29 0.00 0.09 0.00 0.00 58.65 59.04 1ab3 h GLN 27 Cb 0.47 0.01 -0.07 0.00 0.08 0.00 0.00 27.48 27.96 1ab3 h GLN 27 CO 0.02 0.68 0.72 0.28 0.09 0.00 0.00 178.83 180.63 1ab3 h VAL 28 N -0.18 0.49 -0.31 1.86 2.07 -1.16 0.98 116.25 120.01 1ab3 h VAL 28 Ca 0.01 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 1ab3 h VAL 28 Cb 0.64 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1ab3 h VAL 28 CO 0.03 0.04 -0.07 0.00 0.02 0.00 0.00 177.57 177.59 1ab3 h ALA 29 N 1.54 0.42 0.00 1.67 0.00 -1.11 -1.41 119.26 120.38 1ab3 h ALA 29 Ca 0.56 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1ab3 h ALA 29 Cb 1.78 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1ab3 h ALA 29 CO -0.16 0.24 0.00 1.47 0.00 0.00 0.00 179.25 180.80 1ab3 n LEU 30 N -4.48 0.55 0.18 0.00 -0.00 0.31 -1.34 117.00 112.22 1ab3 n LEU 30 Ca -0.03 0.66 0.03 0.00 -0.00 0.00 0.00 56.01 56.68 1ab3 n LEU 30 Cb 0.32 -0.62 0.33 0.00 -0.00 0.00 0.00 43.42 43.44 1ab3 n LEU 30 CO 0.40 -0.62 0.67 0.17 -0.00 0.00 0.00 177.39 178.02 1ab3 h LEU 31 N 0.00 0.00 0.13 1.47 8.10 0.48 -3.07 115.31 122.42 1ab3 h LEU 31 Ca 0.00 0.00 -0.23 0.00 0.11 0.00 0.00 57.88 57.76 1ab3 h LEU 31 Cb 0.26 0.00 0.02 0.00 -0.44 0.00 0.00 40.66 40.50 1ab3 h LEU 31 CO 0.00 0.42 -0.97 0.00 -4.11 0.00 0.00 178.44 173.78 1ab3 h THR 32 N 0.00 1.41 0.00 0.15 1.03 -1.17 -3.21 112.91 111.13 1ab3 h THR 32 Ca -0.00 -2.46 0.00 0.00 -0.01 0.00 0.00 66.41 63.93 1ab3 h THR 32 Cb 0.82 2.97 0.00 0.00 -1.07 0.00 0.00 68.15 70.87 1ab3 h THR 32 CO 0.05 0.72 0.00 0.18 -0.01 0.00 0.00 175.52 176.46 1ab3 n LEU 33 N -4.01 0.00 -0.24 0.00 7.99 -1.16 -0.85 117.00 118.72 1ab3 n LEU 33 Ca -0.14 0.85 0.32 0.00 -0.01 0.00 0.00 56.01 57.03 1ab3 n LEU 33 Cb 0.87 -0.35 0.60 0.00 -0.11 0.00 0.00 43.42 44.43 1ab3 n LEU 33 CO 0.52 -0.35 1.29 -0.09 -1.51 0.00 0.00 177.39 177.25 1ab3 h ARG 34 N 0.00 0.00 0.53 3.23 2.43 -1.73 0.26 114.38 119.10 1ab3 h ARG 34 Ca 0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1ab3 h ARG 34 Cb 0.00 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1ab3 h ARG 34 CO 0.00 0.00 -0.25 0.82 -1.51 0.00 0.00 179.97 179.03 1ab3 h ILE 35 N 0.00 0.32 -0.53 1.20 2.04 -0.99 0.49 117.51 120.03 1ab3 h ILE 35 Ca 0.51 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.98 1ab3 h ILE 35 Cb 2.62 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 39.12 1ab3 h ILE 35 CO -0.01 0.05 0.33 0.78 0.00 0.00 0.00 178.15 179.30 1ab3 h ASN 36 N -1.01 0.54 -0.12 1.72 2.35 0.63 -0.86 115.58 118.84 1ab3 h ASN 36 Ca -0.07 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1ab3 h ASN 36 Cb 0.62 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.87 1ab3 h ASN 36 CO 0.12 0.39 0.00 0.54 -1.65 0.00 0.00 177.43 176.83 1ab3 n ARG 37 N -4.76 1.29 -0.02 0.81 5.12 -0.78 -3.49 116.66 114.83 1ab3 n ARG 37 Ca 0.04 -0.45 -0.21 0.00 -1.93 0.00 0.00 57.85 55.29 1ab3 n ARG 37 Cb 0.06 -1.12 -0.13 0.00 -1.16 0.00 0.00 32.46 30.10 1ab3 n ARG 37 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1ab3 n LEU 38 N -0.15 2.64 0.19 0.55 4.77 0.16 -3.99 117.00 121.16 1ab3 n LEU 38 Ca 0.05 0.17 0.14 0.00 -0.03 0.00 0.00 56.01 56.35 1ab3 n LEU 38 Cb 0.11 -1.08 0.57 0.00 -2.33 0.00 0.00 43.42 40.70 1ab3 n LEU 38 CO 0.04 0.83 0.91 -1.28 -1.33 0.00 0.00 177.39 176.56 1ab3 h SER 39 N -0.01 0.00 -0.33 -1.43 0.87 -1.57 -2.37 113.55 108.71 1ab3 h SER 39 Ca -0.45 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.10 1ab3 h SER 39 Cb 1.97 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.92 1ab3 h SER 39 CO 0.04 0.00 0.02 -0.62 -0.53 0.00 0.00 176.83 175.74 1ab3 n GLU 40 N -2.57 3.06 -0.05 2.24 4.71 -1.26 -4.18 120.64 122.59 1ab3 n GLU 40 Ca 0.01 -1.71 -0.10 0.00 -0.01 0.00 0.00 57.16 55.35 1ab3 n GLU 40 Cb 0.26 -1.91 -0.09 0.00 -1.01 0.00 0.00 31.44 28.69 1ab3 n GLU 40 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1ab3 h HIS 41 N 2.09 -0.02 0.00 -0.32 2.76 -1.61 -3.24 115.15 114.82 1ab3 h HIS 41 Ca 0.02 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1ab3 h HIS 41 Cb 1.35 0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.31 1ab3 h HIS 41 CO 0.61 0.67 0.00 1.28 -1.30 0.00 0.00 177.93 179.19 1ab3 n LEU 42 N -4.69 0.00 -0.76 0.26 4.32 -1.26 -1.73 117.00 113.15 1ab3 n LEU 42 Ca -0.07 0.24 0.02 0.00 -0.02 0.00 0.00 56.01 56.17 1ab3 n LEU 42 Cb 0.33 -0.24 0.10 0.00 -1.62 0.00 0.00 43.42 42.00 1ab3 n LEU 42 CO 0.25 -0.13 0.45 0.29 -1.22 0.00 0.00 177.39 177.03 1ab3 n LYS 43 N -1.24 1.91 0.00 3.23 4.76 -1.22 -3.85 118.16 121.75 1ab3 n LYS 43 Ca 0.08 -0.80 0.00 0.00 -2.87 0.00 0.00 58.31 54.72 1ab3 n LYS 43 Cb 0.10 -1.59 0.00 0.00 -1.84 0.00 0.00 35.03 31.70 1ab3 n LYS 43 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1ab3 n VAL 44 N 0.14 0.00 0.07 -0.18 0.31 -1.05 -4.97 118.33 112.65 1ab3 n VAL 44 Ca 0.07 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.36 1ab3 n VAL 44 Cb 0.43 -0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.33 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 -0.36 -5.31 3.52 3.86 -1.47 -3.48 115.15 111.90 1ab3 h HIS 45 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1ab3 h HIS 45 Cb 0.00 0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 1ab3 h HIS 45 CO 0.00 -0.17 -1.05 1.63 0.86 0.00 0.00 177.93 179.20 1ab3 n LYS 46 N -3.11 -3.18 -2.11 2.45 4.76 -1.25 -4.52 118.16 111.20 1ab3 n LYS 46 Ca -0.03 2.59 -0.04 0.00 -2.87 0.00 0.00 58.31 57.96 1ab3 n LYS 46 Cb 0.11 -4.67 0.02 0.00 -1.84 0.00 0.00 35.03 28.65 1ab3 n LYS 46 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1ab3 n LYS 47 N 0.95 -0.71 -1.71 1.97 5.02 -1.26 -4.99 118.16 117.44 1ab3 n LYS 47 Ca -0.05 0.50 -0.03 0.00 -2.02 0.00 0.00 58.31 56.71 1ab3 n LYS 47 Cb 0.15 -3.07 0.03 0.00 -0.02 0.00 0.00 35.03 32.12 1ab3 n LYS 47 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1ab3 n ASP 48 N -1.84 -0.93 -4.53 4.39 9.92 -1.26 -5.08 116.55 117.22 1ab3 n ASP 48 Ca -0.02 -1.71 -0.35 0.00 -0.53 0.00 0.00 54.79 52.18 1ab3 n ASP 48 Cb 0.53 0.38 -0.10 0.00 -0.64 0.00 0.00 41.12 41.29 1ab3 n ASP 48 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ab3 n HIS 49 N -0.65 0.95 -2.11 1.24 1.44 -1.26 -4.54 115.22 110.28 1ab3 n HIS 49 Ca -0.16 0.21 0.00 0.00 -2.01 0.00 0.00 57.72 55.76 1ab3 n HIS 49 Cb 0.69 -2.38 -0.00 0.00 0.12 0.00 0.00 29.99 28.42 1ab3 n HIS 49 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1ab3 n HIS 50 N 13.17 0.00 0.00 -1.40 8.25 -1.26 -5.08 115.22 128.90 1ab3 n HIS 50 Ca 0.52 -0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.83 1ab3 n HIS 50 Cb 0.29 0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.43 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 0.11 0.00 0.00 0.41 2.88 -1.26 -5.08 113.62 110.69 1ab3 n SER 51 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1ab3 n SER 51 Cb 0.77 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.23 1ab3 n SER 51 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ab3 n HIS 52 N -0.21 0.00 -0.02 0.66 1.44 -1.26 -5.01 115.22 110.82 1ab3 n HIS 52 Ca 0.00 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.55 1ab3 n HIS 52 Cb 0.00 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 29.98 1ab3 n HIS 52 CO 0.00 0.00 0.00 0.07 -2.81 0.00 0.00 176.34 173.60 1ab3 h ARG 53 N 0.00 0.16 -0.02 -1.40 0.11 -2.01 -3.21 114.38 108.01 1ab3 h ARG 53 Ca 0.00 -0.23 0.00 0.00 0.10 0.00 0.00 59.98 59.85 1ab3 h ARG 53 Cb 0.00 0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.16 1ab3 h ARG 53 CO 0.00 1.06 0.00 0.41 0.10 0.00 0.00 179.97 181.54 1ab3 n GLY 54 N 1.45 -0.88 0.00 0.08 0.00 -1.26 -4.22 105.19 100.36 1ab3 n GLY 54 Ca -0.11 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1ab3 n GLY 54 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ab3 n LEU 55 N -0.68 0.00 -0.47 0.99 7.94 -1.21 -4.12 117.00 119.45 1ab3 n LEU 55 Ca 0.14 0.00 0.42 0.00 -1.11 0.00 0.00 56.01 55.45 1ab3 n LEU 55 Cb 0.09 0.00 0.69 0.00 0.53 0.00 0.00 43.42 44.72 1ab3 n LEU 55 CO 0.10 -0.48 1.38 -0.07 -1.11 0.00 0.00 177.39 177.22 1ab3 h LEU 56 N 0.00 0.00 -0.79 -1.96 3.38 -1.88 -1.10 115.31 112.96 1ab3 h LEU 56 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1ab3 h LEU 56 Cb 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.64 1ab3 h LEU 56 CO 0.00 0.00 -0.56 -0.03 0.09 0.00 0.00 178.44 177.94 1ab3 h MET 57 N 0.00 -0.13 0.00 1.13 4.05 -1.79 0.14 114.93 118.33 1ab3 h MET 57 Ca 0.72 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 60.14 1ab3 h MET 57 Cb 3.20 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 34.03 1ab3 h MET 57 CO -0.01 -0.09 -0.38 0.00 0.23 0.00 0.00 176.91 176.66 1ab3 n MET 58 N -5.31 0.25 -0.25 0.39 0.00 -0.43 -3.83 117.12 107.93 1ab3 n MET 58 Ca 0.01 0.12 -0.07 0.00 0.00 0.00 0.00 57.70 57.75 1ab3 n MET 58 Cb 0.30 -1.70 0.04 0.00 0.00 0.00 0.00 33.22 31.86 1ab3 n MET 58 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 175.97 175.73 1ab3 h VAL 59 N 0.00 1.25 -0.11 3.17 3.04 -0.57 -1.34 116.25 121.68 1ab3 h VAL 59 Ca 0.00 -0.83 0.00 0.00 -1.01 0.00 0.00 66.70 64.86 1ab3 h VAL 59 Cb 0.71 0.50 0.00 0.00 -2.01 0.00 0.00 31.29 30.49 1ab3 h VAL 59 CO 0.00 0.33 0.00 0.61 -1.01 0.00 0.00 177.57 177.50 1ab3 n GLY 60 N -0.78 -0.39 1.33 3.17 0.00 -0.69 -3.62 105.19 104.20 1ab3 n GLY 60 Ca 0.05 -0.18 0.03 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.18 3.22 -0.01 1.61 6.02 -0.51 -3.64 117.38 123.90 1ab3 n GLN 61 Ca 0.08 -1.83 0.08 0.00 -0.01 0.00 0.00 57.00 55.33 1ab3 n GLN 61 Cb 0.14 -1.94 -0.11 0.00 1.02 0.00 0.00 30.24 29.34 1ab3 n GLN 61 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1ab3 n ARG 62 N 0.33 0.91 0.00 -1.09 0.63 -1.24 -3.44 116.66 112.77 1ab3 n ARG 62 Ca 0.17 -0.10 0.08 0.00 -0.92 0.00 0.00 57.85 57.08 1ab3 n ARG 62 Cb 0.82 -1.34 0.43 0.00 0.45 0.00 0.00 32.46 32.82 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 -1.84 0.29 -0.68 -0.14 0.00 -1.24 -3.16 116.66 109.89 1ab3 n ARG 63 Ca -0.01 0.11 -0.01 0.00 -0.00 0.00 0.00 57.85 57.94 1ab3 n ARG 63 Cb 0.36 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 31.31 1ab3 n ARG 63 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1ab3 n ARG 64 N -1.24 0.00 0.18 -0.14 0.63 -1.26 -4.88 116.66 109.95 1ab3 n ARG 64 Ca 0.09 -0.66 0.12 0.00 -0.92 0.00 0.00 57.85 56.48 1ab3 n ARG 64 Cb 0.12 -0.08 0.63 0.00 0.45 0.00 0.00 32.46 33.59 1ab3 n ARG 64 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1ab3 h LEU 65 N 0.10 0.00 -1.59 6.15 6.46 -1.57 -1.51 115.31 123.36 1ab3 h LEU 65 Ca -0.11 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.63 1ab3 h LEU 65 Cb 1.28 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.19 1ab3 h LEU 65 CO -0.03 0.00 0.02 0.17 -0.62 0.00 0.00 178.44 177.98 1ab3 h LEU 66 N 0.00 0.26 -1.65 2.25 8.10 -1.90 -1.67 115.31 120.70 1ab3 h LEU 66 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 57.88 57.96 1ab3 h LEU 66 Cb 0.04 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 40.20 1ab3 h LEU 66 CO 0.00 0.29 0.35 -0.09 -4.11 0.00 0.00 178.44 174.88 1ab3 h ARG 67 N 0.29 0.00 0.00 0.17 2.43 -1.64 0.34 114.38 115.97 1ab3 h ARG 67 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 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 0.00 0.00 0.00 0.98 -1.51 0.00 0.00 179.97 179.44 1ab3 n TYR 68 N -2.67 0.00 0.15 2.20 9.36 -0.63 -4.27 117.16 121.29 1ab3 n TYR 68 Ca -0.02 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.15 1ab3 n TYR 68 Cb 0.39 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.07 1ab3 n TYR 68 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 1ab3 h LEU 69 N 0.00 -0.32 -1.56 2.98 5.85 -1.59 -1.29 115.31 119.38 1ab3 h LEU 69 Ca 0.00 0.01 0.27 0.00 0.84 0.00 0.00 57.88 59.00 1ab3 h LEU 69 Cb 0.00 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1ab3 h LEU 69 CO 0.00 -0.20 0.94 -0.61 -0.34 0.00 0.00 178.44 178.23 1ab3 h GLN 70 N -0.44 0.00 0.00 1.25 -0.00 -1.51 0.47 115.11 114.88 1ab3 h GLN 70 Ca -0.04 0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 58.43 1ab3 h GLN 70 Cb 0.29 0.00 0.01 0.00 0.00 0.00 0.00 27.48 27.78 1ab3 h GLN 70 CO 0.06 0.00 -0.71 0.00 0.00 0.00 0.00 178.83 178.19 1ab3 h ARG 71 N 0.00 0.48 -0.84 1.69 2.47 0.09 -3.15 114.38 115.12 1ab3 h ARG 71 Ca 0.44 -0.51 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 1ab3 h ARG 71 Cb 2.30 0.15 0.00 0.00 -1.65 0.00 0.00 29.97 30.77 1ab3 h ARG 71 CO -0.00 1.16 0.00 0.39 0.56 0.00 0.00 179.97 182.07 1ab3 n GLU 72 N -4.13 2.44 0.00 0.04 1.02 0.16 -4.67 120.64 115.50 1ab3 n GLU 72 Ca -0.11 -1.17 0.00 0.00 -0.02 0.00 0.00 57.16 55.87 1ab3 n GLU 72 Cb 0.72 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 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 0.23 0.00 0.14 1.62 5.68 -0.80 -5.01 116.55 118.41 1ab3 n ASP 73 Ca 0.10 0.00 -0.00 0.00 -0.50 0.00 0.00 54.79 54.39 1ab3 n ASP 73 Cb 0.60 0.00 0.14 0.00 -1.14 0.00 0.00 41.12 40.72 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 -0.16 0.11 0.13 -1.82 -3.02 132.00 127.24 1ab3 h PRO 74 Ca 0.00 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.94 1ab3 h PRO 74 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ab3 h PRO 74 CO 0.00 0.61 -0.66 0.93 -0.23 0.00 0.00 178.00 178.65 1ab3 h GLU 75 N 0.00 0.61 0.00 0.86 5.08 -1.96 -2.33 114.58 116.85 1ab3 h GLU 75 Ca -0.01 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1ab3 h GLU 75 Cb 1.22 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1ab3 h GLU 75 CO 0.08 1.07 0.00 0.00 -1.00 0.00 0.00 179.01 179.16 1ab3 h ARG 76 N 0.44 0.00 -1.20 2.33 3.08 -1.89 -2.23 114.38 114.91 1ab3 h ARG 76 Ca -0.02 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.81 1ab3 h ARG 76 Cb 1.24 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.18 1ab3 h ARG 76 CO 0.13 0.00 0.28 0.98 -1.07 0.00 0.00 179.97 180.29 1ab3 n TYR 77 N -2.64 1.20 -1.60 3.04 9.36 -0.87 -3.53 117.16 122.11 1ab3 n TYR 77 Ca -0.00 -1.27 0.00 0.00 3.32 0.00 0.00 57.90 59.95 1ab3 n TYR 77 Cb 0.17 -0.63 0.00 0.00 -0.63 0.00 0.00 39.34 38.24 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 0.10 0.00 0.05 2.98 5.12 -0.84 -4.82 116.66 119.26 1ab3 n ARG 78 Ca 0.23 -0.60 0.00 0.00 -1.93 0.00 0.00 57.85 55.55 1ab3 n ARG 78 Cb 0.82 -0.40 0.00 0.00 -1.16 0.00 0.00 32.46 31.72 1ab3 n ARG 78 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ab3 n ALA 79 N 0.00 3.00 1.00 7.54 0.00 -1.23 -4.75 120.51 126.07 1ab3 n ALA 79 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1ab3 n ALA 79 Cb 0.58 0.09 0.50 0.00 0.00 0.00 0.00 19.45 20.63 1ab3 n ALA 79 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1ab3 n LEU 80 N -2.98 0.00 0.09 0.00 7.94 -1.25 -2.00 117.00 118.80 1ab3 n LEU 80 Ca 0.00 0.16 -0.13 0.00 -1.11 0.00 0.00 56.01 54.93 1ab3 n LEU 80 Cb 0.07 -0.16 -0.09 0.00 0.53 0.00 0.00 43.42 43.76 1ab3 n LEU 80 CO 0.00 -0.07 0.08 0.16 -1.11 0.00 0.00 177.39 176.45 1ab3 h ILE 81 N 0.00 1.50 -0.00 1.96 -0.00 -1.85 -3.12 117.51 116.00 1ab3 h ILE 81 Ca 0.00 -2.88 0.00 0.00 -0.00 0.00 0.00 64.86 61.98 1ab3 h ILE 81 Cb 0.10 2.73 0.00 0.00 -0.00 0.00 0.00 36.82 39.65 1ab3 h ILE 81 CO 0.00 0.84 -0.37 -0.62 -0.00 0.00 0.00 178.15 178.00 1ab3 n GLU 82 N -3.59 0.04 -0.81 0.16 1.02 -0.84 -3.75 120.64 112.87 1ab3 n GLU 82 Ca -0.06 -0.02 -0.04 0.00 -0.02 0.00 0.00 57.16 57.01 1ab3 n GLU 82 Cb 0.93 -1.50 0.20 0.00 -0.02 0.00 0.00 31.44 31.05 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 -1.47 1.86 0.00 3.49 5.02 -1.15 -4.83 118.16 121.09 1ab3 n LYS 83 Ca 0.06 -3.18 0.00 0.00 -2.02 0.00 0.00 58.31 53.17 1ab3 n LYS 83 Cb 0.34 -1.82 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 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 -1.11 0.00 0.00 -0.35 4.77 -1.19 -5.00 117.00 114.12 1ab3 n LEU 84 Ca 0.34 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1ab3 n LEU 84 Cb 1.05 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 42.27 1ab3 n LEU 84 CO 0.20 -0.37 0.00 0.61 -1.33 0.00 0.00 177.39 176.49 1ab3 n GLY 85 N 0.38 -0.26 0.00 -0.72 0.00 -1.25 -5.12 105.19 98.22 1ab3 n GLY 85 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -4.91 119.36 112.72 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 -0.20 0.00 0.00 -0.84 0.00 0.00 39.64 38.60 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 -0.01 0.00 0.00 9.51 5.12 -1.26 -4.92 116.66 125.10 1ab3 n ARG 87 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1ab3 n ARG 87 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1ab3 n ARG 87 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11