#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 1.14 -2.92 0.52 -5.35 -1.26 -4.94 119.36 106.55 1ab3 n ILE 2 Ca 0.00 -0.32 0.00 0.00 -0.27 0.00 0.00 62.75 62.16 1ab3 n ILE 2 Cb 0.00 -0.69 0.00 0.00 -1.74 0.00 0.00 39.64 37.21 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 -2.83 0.00 0.00 7.28 5.66 -1.26 -4.95 114.28 118.18 1ab3 n THR 3 Ca 0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.09 1ab3 n THR 3 Cb 0.51 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 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 -0.45 1.09 4.81 -1.26 -2.46 118.16 119.89 1ab3 n LYS 4 Ca 0.00 0.09 0.04 0.00 -0.87 0.00 0.00 58.31 57.56 1ab3 n LYS 4 Cb 0.00 -0.60 0.20 0.00 0.02 0.00 0.00 35.03 34.66 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 -0.18 2.94 -0.04 1.64 1.02 -1.26 -3.35 120.64 121.41 1ab3 n GLU 5 Ca 0.00 -1.59 0.09 0.00 -0.02 0.00 0.00 57.16 55.64 1ab3 n GLU 5 Cb 0.00 -1.87 0.41 0.00 -0.02 0.00 0.00 31.44 29.96 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 0.33 1.32 0.00 3.49 -0.58 -1.03 -4.24 120.64 119.93 1ab3 n GLU 6 Ca 0.14 -0.49 0.00 0.00 -0.42 0.00 0.00 57.16 56.39 1ab3 n GLU 6 Cb 0.71 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 30.29 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 0.00 0.24 3.49 -0.00 -1.25 -4.43 118.16 115.95 1ab3 n LYS 7 Ca 0.13 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.57 1ab3 n LYS 7 Cb 0.17 0.00 0.68 0.00 -0.00 0.00 0.00 35.03 35.88 1ab3 n LYS 7 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1ab3 h GLN 8 N 0.00 0.00 0.00 -1.58 4.20 -1.73 -1.14 115.11 114.85 1ab3 h GLN 8 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ab3 h GLN 8 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1ab3 h GLN 8 CO 0.00 0.00 -0.42 1.63 -0.67 0.00 0.00 178.83 179.37 1ab3 n LYS 9 N -2.49 3.96 -0.00 1.46 5.02 -1.26 -4.33 118.16 120.51 1ab3 n LYS 9 Ca -0.02 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1ab3 n LYS 9 Cb 0.22 -0.70 -0.00 0.00 -0.02 0.00 0.00 35.03 34.54 1ab3 n LYS 9 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ab3 h VAL 10 N 0.00 0.00 0.04 -0.18 2.07 -1.48 -3.33 116.25 113.37 1ab3 h VAL 10 Ca 0.00 -0.04 -0.10 0.00 0.82 0.00 0.00 66.70 67.37 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 -0.42 0.16 0.02 0.00 0.00 177.57 177.33 1ab3 h ILE 11 N -0.04 1.56 -1.20 4.57 -2.65 -1.80 -0.63 117.51 117.31 1ab3 h ILE 11 Ca 0.00 -2.19 0.44 0.00 1.03 0.00 0.00 64.86 64.14 1ab3 h ILE 11 Cb 0.00 2.96 -0.15 0.00 -2.05 0.00 0.00 36.82 37.59 1ab3 h ILE 11 CO 0.00 0.61 0.74 1.67 0.03 0.00 0.00 178.15 181.20 1ab3 n GLN 12 N -4.37 -0.04 -0.02 0.16 0.00 -1.15 0.27 117.38 112.23 1ab3 n GLN 12 Ca -0.11 1.24 -0.15 0.00 -0.00 0.00 0.00 57.00 57.98 1ab3 n GLN 12 Cb 0.61 -2.36 -0.14 0.00 0.00 0.00 0.00 30.24 28.35 1ab3 n GLN 12 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1ab3 n GLU 13 N -4.79 0.70 -0.01 3.69 2.13 -1.21 -4.63 120.64 116.51 1ab3 n GLU 13 Ca 0.38 0.26 -0.00 0.00 0.66 0.00 0.00 57.16 58.46 1ab3 n GLU 13 Cb 1.41 -1.73 -0.00 0.00 0.27 0.00 0.00 31.44 31.39 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 0.03 0.00 -1.67 4.31 -1.00 0.51 -3.45 116.94 115.67 1ab3 h PHE 14 Ca -0.37 0.00 -0.68 0.00 2.81 0.00 0.00 57.97 59.72 1ab3 h PHE 14 Cb 2.03 0.00 0.01 0.00 3.61 0.00 0.00 35.95 41.60 1ab3 h PHE 14 CO 0.04 0.00 1.06 0.00 -1.61 0.00 0.00 178.31 177.80 1ab3 n ALA 15 N -2.28 0.41 -0.46 2.45 0.00 0.78 -4.78 120.51 116.63 1ab3 n ALA 15 Ca -0.00 0.28 -0.16 0.00 0.00 0.00 0.00 53.44 53.56 1ab3 n ALA 15 Cb 0.01 -2.38 0.11 0.00 0.00 0.00 0.00 19.45 17.19 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 6.31 1.81 -3.70 0.00 0.00 -1.26 -4.51 116.66 115.31 1ab3 n ARG 16 Ca 0.27 -1.92 -0.02 0.00 -0.00 0.00 0.00 57.85 56.18 1ab3 n ARG 16 Cb 0.21 -1.75 -0.01 0.00 -0.00 0.00 0.00 32.46 30.91 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 -2.12 -0.11 -2.00 2.89 0.08 -1.26 -4.93 117.98 110.54 1ab3 s PHE 17 Ca 0.36 -0.12 0.19 0.00 0.12 0.00 0.00 56.93 57.48 1ab3 s PHE 17 Cb 0.31 0.61 1.12 0.00 -0.57 0.00 0.00 43.02 44.49 1ab3 s PHE 17 CO 0.06 -0.64 1.56 -0.35 -0.10 0.00 0.00 175.22 175.75 1ab3 n PRO 18 N -0.46 0.72 0.00 0.24 -0.04 -1.26 -2.72 135.00 131.47 1ab3 n PRO 18 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1ab3 n PRO 18 Cb 0.61 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 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 0.40 0.12 1.13 0.55 0.00 -1.26 -4.75 105.19 101.38 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 1.34 0.00 0.00 0.00 173.32 174.66 1ab3 n ASP 20 N -0.02 3.22 0.07 1.61 2.03 -1.10 -3.61 116.55 118.75 1ab3 n ASP 20 Ca 0.00 -2.39 0.09 0.00 0.52 0.00 0.00 54.79 53.01 1ab3 n ASP 20 Cb 0.23 -0.53 -0.04 0.00 -0.72 0.00 0.00 41.12 40.06 1ab3 n ASP 20 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1ab3 n THR 21 N 0.40 0.63 1.01 5.18 -2.24 -1.26 -3.80 114.28 114.20 1ab3 n THR 21 Ca 0.14 -0.57 0.11 0.00 -2.27 0.00 0.00 64.05 61.46 1ab3 n THR 21 Cb 0.67 -0.35 0.01 0.00 -2.10 0.00 0.00 70.33 68.55 1ab3 n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ab3 n GLY 22 N 1.24 0.04 3.19 3.38 0.00 -1.24 -4.42 105.19 107.38 1ab3 n GLY 22 Ca -0.03 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.01 -3.50 0.17 1.61 3.41 -1.25 -4.78 113.62 109.28 1ab3 n SER 23 Ca 0.09 -0.62 0.12 0.00 -0.26 0.00 0.00 58.87 58.20 1ab3 n SER 23 Cb 0.47 -0.97 0.24 0.00 -0.26 0.00 0.00 64.21 63.69 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 -3.21 0.00 0.30 6.66 2.02 -1.93 -3.03 112.91 113.73 1ab3 h THR 24 Ca -0.39 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 65.96 1ab3 h THR 24 Cb 1.17 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.37 1ab3 h THR 24 CO 0.25 0.00 -0.15 -0.33 0.37 0.00 0.00 175.52 175.67 1ab3 h GLU 25 N 0.00 -0.39 -0.18 6.66 5.08 -1.91 -1.80 114.58 122.04 1ab3 h GLU 25 Ca 0.00 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.44 1ab3 h GLU 25 Cb 0.91 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 1ab3 h GLU 25 CO 0.00 -0.26 0.14 0.28 -1.00 0.00 0.00 179.01 178.16 1ab3 h VAL 26 N -1.02 0.83 0.07 3.13 2.07 -1.78 -2.32 116.25 117.23 1ab3 h VAL 26 Ca -0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1ab3 h VAL 26 Cb 0.31 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1ab3 h VAL 26 CO 0.07 0.00 -0.03 1.56 0.02 0.00 0.00 177.57 179.19 1ab3 h GLN 27 N 0.00 -0.09 -1.18 1.57 4.20 -1.55 -2.27 115.11 115.79 1ab3 h GLN 27 Ca 0.09 0.01 0.34 0.00 0.06 0.00 0.00 58.65 59.14 1ab3 h GLN 27 Cb 0.36 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.09 1ab3 h GLN 27 CO -0.00 0.42 0.82 0.28 -0.67 0.00 0.00 178.83 179.68 1ab3 h VAL 28 N -0.66 0.41 -0.20 -0.54 2.07 -0.77 1.10 116.25 117.66 1ab3 h VAL 28 Ca -0.01 -0.04 -0.08 0.00 0.82 0.00 0.00 66.70 67.39 1ab3 h VAL 28 Cb 0.55 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1ab3 h VAL 28 CO 0.02 0.02 -0.19 0.00 0.02 0.00 0.00 177.57 177.44 1ab3 h ALA 29 N 1.47 0.29 0.00 1.67 0.00 -1.19 -1.89 119.26 119.60 1ab3 h ALA 29 Ca 0.60 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1ab3 h ALA 29 Cb 2.12 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.85 1ab3 h ALA 29 CO -0.12 0.21 0.00 1.47 0.00 0.00 0.00 179.25 180.81 1ab3 n LEU 30 N -4.46 0.31 0.11 0.00 -0.00 0.35 -1.39 117.00 111.92 1ab3 n LEU 30 Ca -0.05 0.59 -0.03 0.00 -0.00 0.00 0.00 56.01 56.52 1ab3 n LEU 30 Cb 0.39 -0.58 0.16 0.00 -0.00 0.00 0.00 43.42 43.39 1ab3 n LEU 30 CO 0.41 -0.50 0.50 0.17 -0.00 0.00 0.00 177.39 177.97 1ab3 h LEU 31 N 0.00 0.16 -0.17 1.47 8.10 0.21 -3.09 115.31 121.99 1ab3 h LEU 31 Ca 0.00 -0.09 -0.15 0.00 0.11 0.00 0.00 57.88 57.75 1ab3 h LEU 31 Cb 0.21 -0.05 0.00 0.00 -0.44 0.00 0.00 40.66 40.39 1ab3 h LEU 31 CO 0.00 0.71 -0.49 0.00 -4.11 0.00 0.00 178.44 174.55 1ab3 h THR 32 N 0.11 1.33 0.16 0.15 1.03 -1.19 -3.09 112.91 111.40 1ab3 h THR 32 Ca -0.00 -1.74 0.00 0.00 -0.01 0.00 0.00 66.41 64.65 1ab3 h THR 32 Cb 1.06 1.97 -0.02 0.00 -1.07 0.00 0.00 68.15 70.10 1ab3 h THR 32 CO 0.09 0.54 -0.31 0.25 -0.01 0.00 0.00 175.52 176.07 1ab3 h LEU 33 N 0.29 -0.90 -1.77 0.00 6.46 -1.54 0.13 115.31 117.98 1ab3 h LEU 33 Ca -0.01 0.09 0.01 0.00 -0.12 0.00 0.00 57.88 57.85 1ab3 h LEU 33 Cb 1.11 0.32 -0.00 0.00 -0.73 0.00 0.00 40.66 41.36 1ab3 h LEU 33 CO 0.10 -0.36 0.43 0.03 -0.62 0.00 0.00 178.44 178.03 1ab3 h ARG 34 N -0.50 0.00 0.05 1.25 3.08 -1.65 -0.03 114.38 116.57 1ab3 h ARG 34 Ca -0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1ab3 h ARG 34 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1ab3 h ARG 34 CO -0.12 0.00 -0.02 0.82 -1.07 0.00 0.00 179.97 179.58 1ab3 h ILE 35 N 0.00 1.32 -0.79 2.04 5.03 -0.70 -2.35 117.51 122.07 1ab3 h ILE 35 Ca 0.02 -1.49 0.00 0.00 -0.12 0.00 0.00 64.86 63.28 1ab3 h ILE 35 Cb 0.87 2.26 -0.04 0.00 -3.03 0.00 0.00 36.82 36.89 1ab3 h ILE 35 CO -0.00 0.36 0.50 0.78 -0.68 0.00 0.00 178.15 179.11 1ab3 h ASN 36 N -0.76 0.92 -0.16 1.72 2.35 0.01 -0.87 115.58 118.79 1ab3 h ASN 36 Ca -0.01 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1ab3 h ASN 36 Cb 0.64 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1ab3 h ASN 36 CO 0.01 0.69 0.00 0.54 -1.65 0.00 0.00 177.43 177.02 1ab3 n ARG 37 N -4.51 1.41 -0.03 0.81 3.00 -0.89 -3.36 116.66 113.09 1ab3 n ARG 37 Ca 0.08 -0.60 -0.11 0.00 -0.01 0.00 0.00 57.85 57.21 1ab3 n ARG 37 Cb 0.03 -1.15 -0.14 0.00 0.00 0.00 0.00 32.46 31.20 1ab3 n ARG 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1ab3 n LEU 38 N -0.01 1.08 0.18 0.55 7.94 -0.33 -3.92 117.00 122.49 1ab3 n LEU 38 Ca 0.06 0.33 0.13 0.00 -1.11 0.00 0.00 56.01 55.41 1ab3 n LEU 38 Cb 0.16 -0.00 0.39 0.00 0.53 0.00 0.00 43.42 44.49 1ab3 n LEU 38 CO 0.04 0.48 0.88 -1.28 -1.11 0.00 0.00 177.39 176.40 1ab3 h SER 39 N 0.01 0.00 -0.34 1.96 0.87 -1.55 -2.97 113.55 111.52 1ab3 h SER 39 Ca -0.34 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.20 1ab3 h SER 39 Cb 2.04 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 64.00 1ab3 h SER 39 CO 0.07 0.00 0.02 -0.62 -0.53 0.00 0.00 176.83 175.77 1ab3 n GLU 40 N -2.68 3.18 0.00 2.24 -0.58 -1.25 -3.98 120.64 117.56 1ab3 n GLU 40 Ca 0.04 -1.81 0.00 0.00 -0.42 0.00 0.00 57.16 54.97 1ab3 n GLU 40 Cb 0.41 -1.93 0.00 0.00 -0.57 0.00 0.00 31.44 29.35 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 0.32 0.00 0.65 -0.32 8.25 -1.12 -4.29 115.22 118.71 1ab3 n HIS 41 Ca 0.17 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.69 1ab3 n HIS 41 Cb 0.81 0.00 0.34 0.00 1.12 0.00 0.00 29.99 32.26 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 -0.21 0.00 -0.81 2.41 4.32 -1.26 -1.77 117.00 119.67 1ab3 n LEU 42 Ca 0.00 0.26 0.02 0.00 -0.02 0.00 0.00 56.01 56.27 1ab3 n LEU 42 Cb 0.00 -0.26 0.11 0.00 -1.62 0.00 0.00 43.42 41.66 1ab3 n LEU 42 CO 0.00 -0.14 0.45 0.29 -1.22 0.00 0.00 177.39 176.77 1ab3 n LYS 43 N -1.26 2.01 0.00 3.23 5.02 -1.26 -4.02 118.16 121.90 1ab3 n LYS 43 Ca 0.07 -0.88 0.00 0.00 -2.02 0.00 0.00 58.31 55.48 1ab3 n LYS 43 Cb 0.10 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 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 0.17 0.00 -1.52 -0.18 0.31 -1.01 -4.99 118.33 111.11 1ab3 n VAL 44 Ca 0.08 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.18 1ab3 n VAL 44 Cb 0.46 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 33.24 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 -1.48 0.51 0.42 3.52 8.25 -0.73 -4.66 115.22 121.06 1ab3 n HIS 45 Ca 0.00 0.05 0.05 0.00 -0.26 0.00 0.00 57.72 57.56 1ab3 n HIS 45 Cb 0.00 -1.51 0.24 0.00 1.12 0.00 0.00 29.99 29.84 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 7.09 0.08 0.00 -0.41 4.76 -1.26 -4.27 118.16 124.15 1ab3 n LYS 46 Ca 0.59 0.26 0.00 0.00 -2.87 0.00 0.00 58.31 56.29 1ab3 n LYS 46 Cb 0.24 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 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 -1.39 0.00 -0.78 1.97 2.85 -1.26 -5.04 118.16 114.51 1ab3 n LYS 47 Ca 0.04 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.28 1ab3 n LYS 47 Cb 0.10 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.47 1ab3 n LYS 47 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1ab3 n ASP 48 N 0.00 -0.23 -4.55 -5.58 2.03 -1.26 -5.07 116.55 101.88 1ab3 n ASP 48 Ca 0.00 -0.56 -0.15 0.00 0.52 0.00 0.00 54.79 54.60 1ab3 n ASP 48 Cb 0.00 0.08 -0.10 0.00 -0.72 0.00 0.00 41.12 40.38 1ab3 n ASP 48 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1ab3 n HIS 49 N -0.05 0.98 -1.98 -0.67 -0.00 -1.26 -4.47 115.22 107.76 1ab3 n HIS 49 Ca -0.06 -0.01 0.02 0.00 -0.00 0.00 0.00 57.72 57.66 1ab3 n HIS 49 Cb 0.38 -2.28 0.02 0.00 -0.00 0.00 0.00 29.99 28.12 1ab3 n HIS 49 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1ab3 n HIS 50 N 16.55 0.00 0.00 1.57 -0.00 -1.26 -5.08 115.22 127.00 1ab3 n HIS 50 Ca 0.50 -0.18 0.00 0.00 -0.00 0.00 0.00 57.72 58.04 1ab3 n HIS 50 Cb 0.38 -0.08 0.00 0.00 -0.00 0.00 0.00 29.99 30.30 1ab3 n HIS 50 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1ab3 n SER 51 N -0.07 0.00 -0.09 0.41 3.41 -1.26 -4.32 113.62 111.70 1ab3 n SER 51 Ca 0.03 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.62 1ab3 n SER 51 Cb 0.76 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.70 1ab3 n SER 51 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1ab3 n HIS 52 N -0.14 0.00 0.32 7.33 8.25 -1.26 -4.85 115.22 124.87 1ab3 n HIS 52 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.30 1ab3 n HIS 52 Cb 0.00 -1.70 -0.08 0.00 1.12 0.00 0.00 29.99 29.33 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 0.18 -0.80 0.00 -0.41 1.12 -2.03 -3.41 114.38 109.04 1ab3 h ARG 53 Ca -0.02 0.05 -0.04 0.00 -1.11 0.00 0.00 59.98 58.86 1ab3 h ARG 53 Cb 0.82 0.18 -0.07 0.00 -0.01 0.00 0.00 29.97 30.89 1ab3 h ARG 53 CO 0.03 -0.48 -0.45 0.41 -3.11 0.00 0.00 179.97 176.37 1ab3 n GLY 54 N -0.84 0.70 1.62 2.80 0.00 -1.26 -4.87 105.19 103.33 1ab3 n GLY 54 Ca -0.12 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 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 0.08 4.94 -0.10 0.99 4.77 -1.26 -3.89 117.00 122.53 1ab3 n LEU 55 Ca -0.01 -2.58 -0.14 0.00 -0.03 0.00 0.00 56.01 53.25 1ab3 n LEU 55 Cb 0.72 -0.69 -0.09 0.00 -2.33 0.00 0.00 43.42 41.03 1ab3 n LEU 55 CO -0.02 0.80 -1.15 0.18 -1.33 0.00 0.00 177.39 175.87 1ab3 n LEU 56 N -0.26 2.83 -0.29 2.23 4.77 -1.26 -4.42 117.00 120.60 1ab3 n LEU 56 Ca 0.29 -0.10 0.21 0.00 -0.03 0.00 0.00 56.01 56.38 1ab3 n LEU 56 Cb 1.04 -0.65 0.51 0.00 -2.33 0.00 0.00 43.42 41.99 1ab3 n LEU 56 CO 0.30 0.82 1.22 -0.03 -1.33 0.00 0.00 177.39 178.38 1ab3 h MET 57 N 0.00 0.39 -0.25 3.23 4.05 -1.94 0.58 114.93 120.99 1ab3 h MET 57 Ca -0.45 -0.02 0.03 0.00 -0.28 0.00 0.00 59.70 58.98 1ab3 h MET 57 Cb 1.71 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 32.40 1ab3 h MET 57 CO -0.07 0.26 0.07 0.00 0.23 0.00 0.00 176.91 177.41 1ab3 h MET 58 N 0.41 0.18 0.00 0.39 -0.00 -1.82 0.14 114.93 114.22 1ab3 h MET 58 Ca 0.53 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.70 60.21 1ab3 h MET 58 Cb 1.34 -0.04 -0.00 0.00 -0.00 0.00 0.00 31.60 32.90 1ab3 h MET 58 CO -0.23 0.12 -0.05 0.28 -0.00 0.00 0.00 176.91 177.03 1ab3 h VAL 59 N 0.18 0.34 -1.28 -0.10 2.07 -1.13 -2.97 116.25 113.37 1ab3 h VAL 59 Ca 0.11 -0.26 -0.66 0.00 0.82 0.00 0.00 66.70 66.72 1ab3 h VAL 59 Cb 0.09 1.19 -0.17 0.00 -1.52 0.00 0.00 31.29 30.88 1ab3 h VAL 59 CO -0.13 0.05 1.41 0.61 0.02 0.00 0.00 177.57 179.53 1ab3 n GLY 60 N -0.87 4.99 0.72 2.17 0.00 0.04 -3.91 105.19 108.33 1ab3 n GLY 60 Ca -0.02 -2.07 -0.03 0.00 0.00 0.00 0.00 46.02 43.90 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 1.07 0.00 0.00 1.61 6.02 -1.12 -4.95 117.38 120.01 1ab3 n GLN 61 Ca 0.55 -0.46 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 1ab3 n GLN 61 Cb 0.36 0.24 0.00 0.00 1.02 0.00 0.00 30.24 31.86 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 0.00 0.00 0.06 -1.09 0.63 -1.26 -4.63 116.66 110.38 1ab3 n ARG 62 Ca -0.13 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 56.86 1ab3 n ARG 62 Cb 0.58 0.00 0.27 0.00 0.45 0.00 0.00 32.46 33.77 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 -1.10 0.06 -1.28 -0.14 0.63 -1.25 -3.71 116.66 109.87 1ab3 n ARG 63 Ca 0.00 0.51 -0.01 0.00 -0.92 0.00 0.00 57.85 57.42 1ab3 n ARG 63 Cb 0.00 -1.68 0.01 0.00 0.45 0.00 0.00 32.46 31.24 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 -1.81 0.23 0.21 -0.14 0.63 -1.26 -4.96 116.66 109.56 1ab3 n ARG 64 Ca 0.00 -0.36 0.14 0.00 -0.92 0.00 0.00 57.85 56.71 1ab3 n ARG 64 Cb 0.05 0.32 0.73 0.00 0.45 0.00 0.00 32.46 34.01 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 0.16 0.00 -1.89 6.15 5.85 -1.82 -1.94 115.31 121.82 1ab3 h LEU 65 Ca -0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1ab3 h LEU 65 Cb 0.95 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.98 1ab3 h LEU 65 CO -0.08 0.00 0.37 0.17 -0.34 0.00 0.00 178.44 178.57 1ab3 h LEU 66 N 0.00 0.00 -1.62 2.25 8.10 -1.93 0.18 115.31 122.29 1ab3 h LEU 66 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.98 1ab3 h LEU 66 Cb 0.08 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.29 1ab3 h LEU 66 CO 0.00 0.00 0.02 -2.11 -4.11 0.00 0.00 178.44 172.24 1ab3 n ARG 67 N -2.89 1.68 0.15 0.17 -4.01 -0.73 -2.73 116.66 108.30 1ab3 n ARG 67 Ca -0.02 -0.60 0.00 0.00 -1.04 0.00 0.00 57.85 56.19 1ab3 n ARG 67 Cb 0.42 -1.59 0.00 0.00 -3.04 0.00 0.00 32.46 28.25 1ab3 n ARG 67 CO 0.00 0.00 0.00 0.98 -3.04 0.00 0.00 177.63 175.57 1ab3 n TYR 68 N 0.13 -3.88 0.00 2.89 9.36 0.53 -4.91 117.16 121.29 1ab3 n TYR 68 Ca 0.06 1.01 0.00 0.00 3.32 0.00 0.00 57.90 62.29 1ab3 n TYR 68 Cb 0.48 2.69 0.00 0.00 -0.63 0.00 0.00 39.34 41.88 1ab3 n TYR 68 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 1ab3 n LEU 69 N -3.09 0.77 -0.25 2.98 7.94 -0.70 -1.18 117.00 123.46 1ab3 n LEU 69 Ca 0.00 0.43 0.25 0.00 -1.11 0.00 0.00 56.01 55.58 1ab3 n LEU 69 Cb 0.00 -0.34 0.61 0.00 0.53 0.00 0.00 43.42 44.22 1ab3 n LEU 69 CO 0.00 -0.34 1.25 0.06 -1.11 0.00 0.00 177.39 177.24 1ab3 h GLN 70 N 0.00 0.21 -0.03 1.96 -0.00 -1.73 0.31 115.11 115.84 1ab3 h GLN 70 Ca 0.00 -0.01 -0.19 0.00 -0.00 0.00 0.00 58.65 58.44 1ab3 h GLN 70 Cb 0.00 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 27.43 1ab3 h GLN 70 CO 0.00 0.14 -0.82 0.07 -0.00 0.00 0.00 178.83 178.22 1ab3 h ARG 71 N 0.22 0.30 -0.71 0.06 -0.00 -1.63 -2.94 114.38 109.68 1ab3 h ARG 71 Ca 0.50 -0.29 0.00 0.00 -0.00 0.00 0.00 59.98 60.19 1ab3 h ARG 71 Cb 1.56 0.07 0.00 0.00 -0.00 0.00 0.00 29.97 31.61 1ab3 h ARG 71 CO -0.13 0.96 0.00 0.39 -0.00 0.00 0.00 179.97 181.20 1ab3 n GLU 72 N -3.75 2.60 0.00 0.08 1.02 1.00 -4.72 120.64 116.87 1ab3 n GLU 72 Ca -0.04 -1.42 0.00 0.00 -0.02 0.00 0.00 57.16 55.68 1ab3 n GLU 72 Cb 0.76 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 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 0.34 0.00 0.12 1.62 8.00 -0.72 -5.00 116.55 120.92 1ab3 n ASP 73 Ca 0.13 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.61 1ab3 n ASP 73 Cb 0.61 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.81 1ab3 n ASP 73 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1ab3 h PRO 74 N 0.00 0.00 0.00 -0.24 0.13 -1.80 -2.50 132.00 127.59 1ab3 h PRO 74 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 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 0.68 0.00 0.39 -0.23 0.00 0.00 178.00 178.84 1ab3 n GLU 75 N -3.61 0.19 0.08 0.86 1.02 -1.26 -2.12 120.64 115.80 1ab3 n GLU 75 Ca -0.01 0.30 0.04 0.00 -0.02 0.00 0.00 57.16 57.47 1ab3 n GLU 75 Cb 0.69 -1.79 -0.03 0.00 -0.02 0.00 0.00 31.44 30.29 1ab3 n GLU 75 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ab3 h ARG 76 N 0.00 0.00 -1.90 3.49 3.08 -1.79 -3.34 114.38 113.91 1ab3 h ARG 76 Ca 0.00 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.78 1ab3 h ARG 76 Cb 0.51 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.46 1ab3 h ARG 76 CO 0.00 0.22 0.07 0.98 -1.07 0.00 0.00 179.97 180.17 1ab3 n TYR 77 N -2.89 0.76 -2.02 3.04 9.36 -0.90 -3.65 117.16 120.86 1ab3 n TYR 77 Ca -0.05 -1.62 -0.02 0.00 3.32 0.00 0.00 57.90 59.53 1ab3 n TYR 77 Cb 0.73 -1.19 -0.02 0.00 -0.63 0.00 0.00 39.34 38.22 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 1.41 0.00 0.06 2.98 -4.01 -1.25 -4.92 116.66 110.93 1ab3 n ARG 78 Ca 0.34 -0.47 0.00 0.00 -1.04 0.00 0.00 57.85 56.68 1ab3 n ARG 78 Cb 0.67 0.12 0.00 0.00 -3.04 0.00 0.00 32.46 30.20 1ab3 n ARG 78 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1ab3 n ALA 79 N 0.02 3.00 0.74 2.89 0.00 -1.24 -4.78 120.51 121.14 1ab3 n ALA 79 Ca -0.08 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.43 1ab3 n ALA 79 Cb 0.60 0.02 0.38 0.00 0.00 0.00 0.00 19.45 20.45 1ab3 n ALA 79 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1ab3 n LEU 80 N -2.99 0.00 0.09 0.00 -0.00 -1.26 -1.90 117.00 110.94 1ab3 n LEU 80 Ca 0.00 0.18 -0.17 0.00 -0.00 0.00 0.00 56.01 56.02 1ab3 n LEU 80 Cb 0.00 -0.18 -0.10 0.00 -0.00 0.00 0.00 43.42 43.15 1ab3 n LEU 80 CO 0.00 -0.10 0.04 0.16 -0.00 0.00 0.00 177.39 177.49 1ab3 h ILE 81 N 0.00 1.39 0.00 1.47 -0.00 -1.86 -2.94 117.51 115.56 1ab3 h ILE 81 Ca 0.00 -2.62 0.00 0.00 -0.00 0.00 0.00 64.86 62.24 1ab3 h ILE 81 Cb 0.08 2.65 0.00 0.00 -0.00 0.00 0.00 36.82 39.55 1ab3 h ILE 81 CO 0.00 0.78 -0.52 -0.62 -0.00 0.00 0.00 178.15 177.79 1ab3 n GLU 82 N -3.70 0.09 -0.67 0.16 1.02 -0.80 -3.50 120.64 113.24 1ab3 n GLU 82 Ca -0.09 0.02 0.08 0.00 -0.02 0.00 0.00 57.16 57.15 1ab3 n GLU 82 Cb 0.94 -1.56 0.33 0.00 -0.02 0.00 0.00 31.44 31.13 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 -1.69 3.87 0.00 3.49 5.02 -1.03 -4.81 118.16 123.01 1ab3 n LYS 83 Ca 0.05 -3.01 0.00 0.00 -2.02 0.00 0.00 58.31 53.33 1ab3 n LYS 83 Cb 0.37 -2.05 0.00 0.00 -0.02 0.00 0.00 35.03 33.32 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 0.02 0.00 0.00 -0.35 4.77 -1.12 -4.99 117.00 115.34 1ab3 n LEU 84 Ca 0.25 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1ab3 n LEU 84 Cb 1.05 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 42.18 1ab3 n LEU 84 CO 0.24 -0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 1ab3 n GLY 85 N 0.63 -1.22 0.00 -0.72 0.00 -1.23 -5.10 105.19 97.55 1ab3 n GLY 85 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.23 -5.10 119.36 112.55 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 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 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 0.00 0.00 -0.31 9.51 1.74 -1.26 -5.15 116.66 121.19 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