#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 1.73 -2.64 4.25 -5.35 -1.26 -4.72 119.36 111.36 1ab3 n ILE 2 Ca 0.00 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 1ab3 n ILE 2 Cb 0.00 -1.98 0.00 0.00 -1.74 0.00 0.00 39.64 35.92 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 0.90 0.00 0.00 7.28 5.66 -1.26 -4.93 114.28 121.93 1ab3 n THR 3 Ca 0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 1ab3 n THR 3 Cb 0.38 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.16 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 0.00 0.00 -0.42 1.09 5.02 -1.26 -2.40 118.16 120.19 1ab3 n LYS 4 Ca 0.00 0.08 0.04 0.00 -2.02 0.00 0.00 58.31 56.41 1ab3 n LYS 4 Cb 0.00 -0.59 0.20 0.00 -0.02 0.00 0.00 35.03 34.62 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 -0.17 2.82 -0.02 1.97 1.02 -1.26 -3.80 120.64 121.20 1ab3 n GLU 5 Ca 0.00 -1.56 0.13 0.00 -0.02 0.00 0.00 57.16 55.71 1ab3 n GLU 5 Cb 0.00 -1.80 0.54 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 0.36 1.58 0.00 3.49 -0.58 -1.01 -3.81 120.64 120.68 1ab3 n GLU 6 Ca 0.14 -0.85 0.00 0.00 -0.42 0.00 0.00 57.16 56.02 1ab3 n GLU 6 Cb 0.67 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 30.09 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 0.05 0.00 0.30 3.49 5.02 -1.22 -4.30 118.16 121.49 1ab3 n LYS 7 Ca 0.19 -0.14 0.16 0.00 -2.02 0.00 0.00 58.31 56.50 1ab3 n LYS 7 Cb 0.31 -0.47 0.93 0.00 -0.02 0.00 0.00 35.03 35.78 1ab3 n LYS 7 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1ab3 h GLN 8 N 0.00 0.00 0.00 1.97 1.08 -1.72 -3.38 115.11 113.06 1ab3 h GLN 8 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1ab3 h GLN 8 Cb 0.65 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.08 1ab3 h GLN 8 CO 0.00 0.01 0.00 0.36 -0.95 0.00 0.00 178.83 178.25 1ab3 n LYS 9 N -3.75 0.00 0.00 1.46 2.85 -1.26 -5.01 118.16 112.45 1ab3 n LYS 9 Ca -0.03 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 1ab3 n LYS 9 Cb 0.10 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.48 1ab3 n LYS 9 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1ab3 n VAL 10 N 0.00 0.00 -0.04 0.58 0.31 -1.26 -4.39 118.33 113.53 1ab3 n VAL 10 Ca 0.00 0.34 -0.21 0.00 -0.01 0.00 0.00 64.34 64.47 1ab3 n VAL 10 Cb 0.00 -1.15 -0.13 0.00 -0.91 0.00 0.00 33.84 31.65 1ab3 n VAL 10 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 1ab3 h ILE 11 N 0.00 1.06 -1.38 2.52 -2.65 -1.91 -2.61 117.51 112.55 1ab3 h ILE 11 Ca 0.00 -2.31 0.46 0.00 1.03 0.00 0.00 64.86 64.04 1ab3 h ILE 11 Cb 0.00 2.61 -0.12 0.00 -2.05 0.00 0.00 36.82 37.27 1ab3 h ILE 11 CO 0.00 0.57 0.91 0.00 0.03 0.00 0.00 178.15 179.66 1ab3 n GLN 12 N -4.16 -0.03 -0.01 0.16 10.64 -1.26 0.28 117.38 123.00 1ab3 n GLN 12 Ca -0.26 1.11 -0.19 0.00 -1.83 0.00 0.00 57.00 55.83 1ab3 n GLN 12 Cb 0.78 -2.26 -0.14 0.00 -0.86 0.00 0.00 30.24 27.75 1ab3 n GLN 12 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 1ab3 n GLU 13 N -4.37 0.73 -0.01 2.61 2.13 -1.25 -4.65 120.64 115.84 1ab3 n GLU 13 Ca 0.38 0.26 -0.00 0.00 0.66 0.00 0.00 57.16 58.45 1ab3 n GLU 13 Cb 1.52 -1.71 -0.00 0.00 0.27 0.00 0.00 31.44 31.53 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 0.06 0.00 -2.53 4.31 0.04 0.43 -3.45 116.94 115.79 1ab3 h PHE 14 Ca -0.42 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 59.83 1ab3 h PHE 14 Cb 2.03 0.00 0.04 0.00 2.20 0.00 0.00 35.95 40.21 1ab3 h PHE 14 CO 0.06 0.00 1.11 0.00 -0.60 0.00 0.00 178.31 178.89 1ab3 s ALA 15 N -2.96 3.75 -0.29 2.45 0.00 0.80 -4.84 121.76 120.68 1ab3 s ALA 15 Ca -0.01 1.43 0.03 0.00 0.00 0.00 0.00 51.96 53.40 1ab3 s ALA 15 Cb 0.00 -3.77 0.42 0.00 0.00 0.00 0.00 23.12 19.78 1ab3 s ALA 15 CO 0.02 -1.24 1.56 2.89 0.00 0.00 0.00 175.76 178.99 1ab3 n ARG 16 N 5.79 1.86 -3.68 0.00 0.00 -1.26 -4.19 116.66 115.18 1ab3 n ARG 16 Ca 0.18 -1.89 -0.01 0.00 -0.00 0.00 0.00 57.85 56.12 1ab3 n ARG 16 Cb 0.38 -1.75 -0.01 0.00 -0.00 0.00 0.00 32.46 31.09 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 -2.07 -0.10 -2.00 2.89 0.08 -1.26 -4.92 117.98 110.61 1ab3 s PHE 17 Ca 0.36 -0.10 0.22 0.00 0.12 0.00 0.00 56.93 57.52 1ab3 s PHE 17 Cb 0.30 0.59 1.31 0.00 -0.57 0.00 0.00 43.02 44.65 1ab3 s PHE 17 CO 0.07 -0.55 1.68 -0.35 -0.10 0.00 0.00 175.22 175.97 1ab3 n PRO 18 N -0.46 0.68 0.00 0.24 -0.04 -1.26 -2.65 135.00 131.51 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 0.62 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 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 0.04 1.27 0.55 0.00 -1.26 -4.75 105.19 101.40 1ab3 n GLY 19 Ca 0.16 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.02 3.60 0.03 1.61 8.00 -1.09 -3.59 116.55 125.08 1ab3 n ASP 20 Ca 0.00 -2.51 0.11 0.00 0.71 0.00 0.00 54.79 53.10 1ab3 n ASP 20 Cb 0.23 -0.60 -0.11 0.00 -0.02 0.00 0.00 41.12 40.61 1ab3 n ASP 20 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1ab3 n THR 21 N 0.33 0.20 1.12 -3.53 5.66 -1.26 -3.91 114.28 112.89 1ab3 n THR 21 Ca 0.15 -0.52 0.12 0.00 -3.05 0.00 0.00 64.05 60.76 1ab3 n THR 21 Cb 0.77 -0.11 0.31 0.00 -1.55 0.00 0.00 70.33 69.75 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 1.23 -0.92 0.00 1.09 0.00 -1.24 -4.02 105.19 101.34 1ab3 n GLY 22 Ca -0.03 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.07 -1.05 0.05 1.61 2.88 -1.25 -4.76 113.62 110.03 1ab3 n SER 23 Ca 0.09 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.71 1ab3 n SER 23 Cb 0.34 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.74 1ab3 n SER 23 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1ab3 n THR 24 N -2.16 0.64 0.09 2.46 -1.04 -1.26 -3.44 114.28 109.58 1ab3 n THR 24 Ca 0.00 -0.59 -0.08 0.00 -2.04 0.00 0.00 64.05 61.34 1ab3 n THR 24 Cb 0.00 -0.36 -0.05 0.00 -1.82 0.00 0.00 70.33 68.10 1ab3 n THR 24 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1ab3 h GLU 25 N 0.00 -0.31 0.00 -2.82 5.08 -1.90 -1.59 114.58 113.04 1ab3 h GLU 25 Ca -0.06 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1ab3 h GLU 25 Cb 1.19 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 1ab3 h GLU 25 CO 0.01 -0.03 -0.06 0.28 -1.00 0.00 0.00 179.01 178.21 1ab3 h VAL 26 N -1.01 0.86 -0.02 3.13 2.07 -1.80 -2.51 116.25 116.97 1ab3 h VAL 26 Ca -0.03 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 1ab3 h VAL 26 Cb 0.42 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1ab3 h VAL 26 CO 0.05 0.06 -0.22 1.56 0.02 0.00 0.00 177.57 179.04 1ab3 h GLN 27 N 0.00 0.19 -1.11 1.57 4.20 -1.58 -2.74 115.11 115.64 1ab3 h GLN 27 Ca -0.00 -0.17 0.30 0.00 0.06 0.00 0.00 58.65 58.84 1ab3 h GLN 27 Cb 0.12 0.04 -0.09 0.00 0.30 0.00 0.00 27.48 27.86 1ab3 h GLN 27 CO 0.01 0.86 0.73 0.28 -0.67 0.00 0.00 178.83 180.04 1ab3 h VAL 28 N -0.43 0.45 -0.31 -0.54 2.07 -0.85 1.02 116.25 117.66 1ab3 h VAL 28 Ca -0.02 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.34 1ab3 h VAL 28 Cb 0.92 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1ab3 h VAL 28 CO 0.04 0.05 -0.08 0.00 0.02 0.00 0.00 177.57 177.60 1ab3 h ALA 29 N 1.57 0.43 0.00 1.67 0.00 -1.33 -1.39 119.26 120.21 1ab3 h ALA 29 Ca 0.62 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1ab3 h ALA 29 Cb 1.81 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1ab3 h ALA 29 CO -0.25 0.27 0.00 1.47 0.00 0.00 0.00 179.25 180.74 1ab3 n LEU 30 N -4.45 0.25 0.16 0.00 -0.00 0.32 -1.50 117.00 111.78 1ab3 n LEU 30 Ca -0.03 0.57 0.01 0.00 -0.00 0.00 0.00 56.01 56.57 1ab3 n LEU 30 Cb 0.33 -0.54 0.23 0.00 -0.00 0.00 0.00 43.42 43.44 1ab3 n LEU 30 CO 0.41 -0.42 0.57 0.17 -0.00 0.00 0.00 177.39 178.12 1ab3 h LEU 31 N 0.00 0.00 0.03 1.47 8.10 0.62 -2.92 115.31 122.61 1ab3 h LEU 31 Ca 0.00 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 57.88 1ab3 h LEU 31 Cb 0.25 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.48 1ab3 h LEU 31 CO 0.00 0.53 -0.46 0.00 -4.11 0.00 0.00 178.44 174.39 1ab3 h THR 32 N 0.00 1.53 0.44 0.15 1.03 -1.22 -3.09 112.91 111.75 1ab3 h THR 32 Ca -0.01 -2.16 -0.01 0.00 -0.01 0.00 0.00 66.41 64.22 1ab3 h THR 32 Cb 1.01 2.88 -0.02 0.00 -1.07 0.00 0.00 68.15 70.96 1ab3 h THR 32 CO 0.07 0.60 -0.40 -0.07 -0.01 0.00 0.00 175.52 175.71 1ab3 h LEU 33 N -0.40 -1.09 -1.75 0.00 4.07 -1.54 0.46 115.31 115.07 1ab3 h LEU 33 Ca -0.07 0.08 0.02 0.00 0.08 0.00 0.00 57.88 57.99 1ab3 h LEU 33 Cb 1.25 0.35 -0.00 0.00 1.08 0.00 0.00 40.66 43.34 1ab3 h LEU 33 CO 0.09 -0.54 0.44 0.03 -1.08 0.00 0.00 178.44 177.37 1ab3 h ARG 34 N -0.83 0.00 0.20 1.13 3.08 -1.66 -0.46 114.38 115.84 1ab3 h ARG 34 Ca -0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1ab3 h ARG 34 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1ab3 h ARG 34 CO -0.03 0.00 -0.09 0.82 -1.07 0.00 0.00 179.97 179.60 1ab3 h ILE 35 N 0.00 0.66 -0.73 2.04 2.04 -0.85 -2.14 117.51 118.53 1ab3 h ILE 35 Ca 0.03 -1.05 0.02 0.00 1.00 0.00 0.00 64.86 64.86 1ab3 h ILE 35 Cb 0.90 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 38.06 1ab3 h ILE 35 CO -0.00 0.17 0.47 0.78 0.00 0.00 0.00 178.15 179.58 1ab3 h ASN 36 N -0.93 0.80 -0.13 1.72 2.35 -0.19 -0.72 115.58 118.49 1ab3 h ASN 36 Ca -0.03 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1ab3 h ASN 36 Cb 0.49 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1ab3 h ASN 36 CO 0.04 0.57 0.00 -1.14 -1.65 0.00 0.00 177.43 175.25 1ab3 n ARG 37 N -4.61 1.30 -0.02 0.81 0.00 -0.73 -3.40 116.66 110.01 1ab3 n ARG 37 Ca 0.07 -0.46 -0.17 0.00 -0.00 0.00 0.00 57.85 57.29 1ab3 n ARG 37 Cb 0.05 -1.11 -0.14 0.00 0.00 0.00 0.00 32.46 31.26 1ab3 n ARG 37 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1ab3 n LEU 38 N -0.13 2.09 -0.12 6.15 7.99 -0.28 -3.44 117.00 129.26 1ab3 n LEU 38 Ca 0.05 0.22 -0.13 0.00 -0.01 0.00 0.00 56.01 56.14 1ab3 n LEU 38 Cb 0.11 -0.69 -0.02 0.00 -0.11 0.00 0.00 43.42 42.71 1ab3 n LEU 38 CO 0.03 0.73 0.59 -1.28 -1.51 0.00 0.00 177.39 175.95 1ab3 h SER 39 N 0.04 0.94 -0.34 -1.43 0.87 -1.56 -2.74 113.55 109.33 1ab3 h SER 39 Ca -0.41 -0.45 -0.03 0.00 -1.23 0.00 0.00 61.79 59.68 1ab3 h SER 39 Cb 2.03 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 63.71 1ab3 h SER 39 CO 0.07 1.19 0.03 -0.62 -0.53 0.00 0.00 176.83 176.97 1ab3 n GLU 40 N -4.13 3.05 -0.07 2.24 4.71 -1.26 -4.20 120.64 120.98 1ab3 n GLU 40 Ca -0.02 -1.75 -0.07 0.00 -0.01 0.00 0.00 57.16 55.31 1ab3 n GLU 40 Cb 0.50 -1.91 -0.03 0.00 -1.01 0.00 0.00 31.44 28.99 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 2.07 0.00 0.00 -0.32 2.76 -1.51 -3.35 115.15 114.80 1ab3 h HIS 41 Ca 0.03 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1ab3 h HIS 41 Cb 1.39 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.35 1ab3 h HIS 41 CO 0.64 0.28 0.00 1.28 -1.30 0.00 0.00 177.93 178.83 1ab3 n LEU 42 N -4.60 0.00 -0.72 0.26 4.32 -1.26 -1.64 117.00 113.36 1ab3 n LEU 42 Ca -0.11 0.22 0.02 0.00 -0.02 0.00 0.00 56.01 56.12 1ab3 n LEU 42 Cb 0.31 -0.22 0.09 0.00 -1.62 0.00 0.00 43.42 41.98 1ab3 n LEU 42 CO 0.11 -0.11 0.44 0.29 -1.22 0.00 0.00 177.39 176.90 1ab3 n LYS 43 N -1.22 1.81 0.00 3.23 4.76 -1.26 -4.07 118.16 121.41 1ab3 n LYS 43 Ca 0.09 -0.72 0.00 0.00 -2.87 0.00 0.00 58.31 54.81 1ab3 n LYS 43 Cb 0.11 -1.56 0.00 0.00 -1.84 0.00 0.00 35.03 31.74 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 0.12 0.00 -0.52 -0.18 0.31 -1.08 -5.10 118.33 111.87 1ab3 n VAL 44 Ca 0.06 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.10 1ab3 n VAL 44 Cb 0.40 -0.00 0.23 0.00 -0.91 0.00 0.00 33.84 33.56 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 -1.56 -1.68 -1.52 3.52 8.25 -0.65 -4.81 115.22 116.77 1ab3 n HIS 45 Ca 0.00 -0.12 -0.31 0.00 -0.26 0.00 0.00 57.72 57.04 1ab3 n HIS 45 Cb 0.00 -1.59 -0.06 0.00 1.12 0.00 0.00 29.99 29.47 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 -3.81 3.32 -0.53 -0.41 5.02 -1.26 -4.53 118.16 115.96 1ab3 n LYS 46 Ca 0.02 -2.42 0.00 0.00 -2.02 0.00 0.00 58.31 53.89 1ab3 n LYS 46 Cb 0.57 -2.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.17 1ab3 n LYS 46 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ab3 n LYS 47 N 2.04 0.00 -1.86 1.97 5.02 -1.26 -3.97 118.16 120.10 1ab3 n LYS 47 Ca 0.59 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.83 1ab3 n LYS 47 Cb 0.45 -2.25 -0.01 0.00 -0.02 0.00 0.00 35.03 33.20 1ab3 n LYS 47 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1ab3 n ASP 48 N 0.00 -1.72 -3.55 4.39 2.03 -1.26 -0.34 116.55 116.10 1ab3 n ASP 48 Ca 0.00 0.26 -0.20 0.00 0.52 0.00 0.00 54.79 55.37 1ab3 n ASP 48 Cb 0.00 -1.71 0.06 0.00 -0.72 0.00 0.00 41.12 38.75 1ab3 n ASP 48 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1ab3 n HIS 49 N -2.14 -2.08 -1.85 -0.67 8.25 -1.25 -0.71 115.22 114.77 1ab3 n HIS 49 Ca -0.05 0.85 -0.09 0.00 -0.26 0.00 0.00 57.72 58.16 1ab3 n HIS 49 Cb 0.36 -4.53 -0.02 0.00 1.12 0.00 0.00 29.99 26.92 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 -4.08 -1.03 -0.76 4.41 8.25 0.54 -4.86 115.22 117.69 1ab3 n HIS 50 Ca -0.25 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 56.87 1ab3 n HIS 50 Cb 0.66 -2.24 0.14 0.00 1.12 0.00 0.00 29.99 29.67 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 -0.88 -2.53 0.00 0.41 2.88 0.11 -4.94 113.62 108.67 1ab3 n SER 51 Ca -0.10 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1ab3 n SER 51 Cb 0.44 -1.02 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 1ab3 n SER 51 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1ab3 n HIS 52 N -3.92 0.00 0.00 0.66 -0.00 -1.26 -4.99 115.22 105.71 1ab3 n HIS 52 Ca 0.03 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.21 1ab3 n HIS 52 Cb 0.59 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.46 1ab3 n HIS 52 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 1ab3 n ARG 53 N 0.00 0.00 -0.00 1.57 0.63 -1.26 -4.03 116.66 113.57 1ab3 n ARG 53 Ca 0.00 0.25 0.13 0.00 -0.92 0.00 0.00 57.85 57.31 1ab3 n ARG 53 Cb 0.00 -0.87 0.77 0.00 0.45 0.00 0.00 32.46 32.81 1ab3 n ARG 53 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ab3 n GLY 54 N 1.52 -0.90 0.00 5.14 0.00 -1.26 -3.93 105.19 105.76 1ab3 n GLY 54 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.82 0.00 -0.37 0.99 4.32 -1.26 -4.18 117.00 115.69 1ab3 n LEU 55 Ca 0.20 0.00 0.38 0.00 -0.02 0.00 0.00 56.01 56.57 1ab3 n LEU 55 Cb 0.11 0.00 0.74 0.00 -1.62 0.00 0.00 43.42 42.65 1ab3 n LEU 55 CO 0.15 -0.69 1.35 -0.07 -1.22 0.00 0.00 177.39 176.91 1ab3 h LEU 56 N 0.00 0.00 -0.78 2.23 3.38 -1.88 -0.16 115.31 118.10 1ab3 h LEU 56 Ca 0.00 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.11 1ab3 h LEU 56 Cb 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.61 1ab3 h LEU 56 CO 0.00 0.00 -0.28 -0.03 0.09 0.00 0.00 178.44 178.22 1ab3 h MET 57 N 0.00 -0.05 -0.36 1.13 4.05 -1.81 0.32 114.93 118.21 1ab3 h MET 57 Ca 0.61 0.00 0.03 0.00 -0.28 0.00 0.00 59.70 60.06 1ab3 h MET 57 Cb 2.59 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 33.37 1ab3 h MET 57 CO -0.01 -0.03 0.18 0.52 0.23 0.00 0.00 176.91 177.80 1ab3 h MET 58 N -0.05 0.36 -0.85 0.39 2.86 -1.14 -0.26 114.93 116.25 1ab3 h MET 58 Ca 0.34 -0.02 0.25 0.00 -2.06 0.00 0.00 59.70 58.20 1ab3 h MET 58 Cb 0.58 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.13 1ab3 h MET 58 CO -0.82 0.24 0.71 0.28 1.06 0.00 0.00 176.91 178.37 1ab3 h VAL 59 N 0.37 0.39 -0.42 -2.22 2.07 -0.50 0.36 116.25 116.30 1ab3 h VAL 59 Ca 0.15 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.41 1ab3 h VAL 59 Cb 0.06 0.48 -0.13 0.00 -1.52 0.00 0.00 31.29 30.18 1ab3 h VAL 59 CO -0.10 0.00 0.34 0.61 0.02 0.00 0.00 177.57 178.44 1ab3 n GLY 60 N -1.66 3.62 0.65 2.17 0.00 -0.11 -3.64 105.19 106.23 1ab3 n GLY 60 Ca 0.18 -0.79 -0.01 0.00 0.00 0.00 0.00 46.02 45.39 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 0.23 0.00 0.00 1.61 6.02 0.12 -4.88 117.38 120.49 1ab3 n GLN 61 Ca 0.26 -0.47 0.00 0.00 -0.01 0.00 0.00 57.00 56.79 1ab3 n GLN 61 Cb 0.72 0.01 0.00 0.00 1.02 0.00 0.00 30.24 32.00 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 0.03 0.87 0.00 -1.09 0.63 -1.24 -4.24 116.66 111.62 1ab3 n ARG 62 Ca -0.05 -0.16 0.05 0.00 -0.92 0.00 0.00 57.85 56.77 1ab3 n ARG 62 Cb 0.61 -0.57 0.22 0.00 0.45 0.00 0.00 32.46 33.17 1ab3 n ARG 62 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1ab3 n ARG 63 N -0.17 0.05 0.00 -0.14 1.85 -1.26 -3.77 116.66 113.22 1ab3 n ARG 63 Ca 0.00 0.28 0.00 0.00 -1.00 0.00 0.00 57.85 57.13 1ab3 n ARG 63 Cb 0.08 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 29.99 1ab3 n ARG 63 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 1ab3 n ARG 64 N -1.43 0.00 -0.93 2.89 1.85 -1.26 -4.89 116.66 112.88 1ab3 n ARG 64 Ca 0.03 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.73 1ab3 n ARG 64 Cb 0.10 -0.15 0.00 0.00 -1.05 0.00 0.00 32.46 31.37 1ab3 n ARG 64 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1ab3 n LEU 65 N -1.68 6.20 -0.11 2.89 4.32 -1.26 -4.63 117.00 122.73 1ab3 n LEU 65 Ca 0.00 -3.27 -0.09 0.00 -0.02 0.00 0.00 56.01 52.63 1ab3 n LEU 65 Cb 0.00 -1.13 -0.07 0.00 -1.62 0.00 0.00 43.42 40.61 1ab3 n LEU 65 CO 0.00 1.31 0.50 0.25 -1.22 0.00 0.00 177.39 178.23 1ab3 h LEU 66 N 3.01 -1.25 0.00 2.23 5.85 -1.79 -2.49 115.31 120.88 1ab3 h LEU 66 Ca 0.25 0.17 0.00 0.00 0.84 0.00 0.00 57.88 59.14 1ab3 h LEU 66 Cb 0.94 0.52 0.00 0.00 0.37 0.00 0.00 40.66 42.48 1ab3 h LEU 66 CO 0.61 -0.26 -1.36 -2.11 -0.34 0.00 0.00 178.44 174.98 1ab3 n ARG 67 N -4.46 0.38 -0.80 1.25 1.85 -1.26 -4.80 116.66 108.81 1ab3 n ARG 67 Ca -0.02 -0.06 0.00 0.00 -1.00 0.00 0.00 57.85 56.77 1ab3 n ARG 67 Cb 0.22 -1.56 0.00 0.00 -1.05 0.00 0.00 32.46 30.07 1ab3 n ARG 67 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60 1ab3 n TYR 68 N -2.02 0.00 0.05 2.89 9.36 -0.94 -4.78 117.16 121.72 1ab3 n TYR 68 Ca 0.00 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.24 1ab3 n TYR 68 Cb 0.47 -0.92 -0.07 0.00 -0.63 0.00 0.00 39.34 38.19 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 0.00 -1.74 2.98 6.46 -1.92 -3.32 115.31 117.77 1ab3 h LEU 69 Ca 0.00 0.00 0.18 0.00 -0.12 0.00 0.00 57.88 57.94 1ab3 h LEU 69 Cb 0.16 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.06 1ab3 h LEU 69 CO 0.00 0.48 0.68 -0.61 -0.62 0.00 0.00 178.44 178.37 1ab3 h GLN 70 N 0.00 0.00 -0.22 1.25 -0.00 -1.87 0.30 115.11 114.58 1ab3 h GLN 70 Ca -0.13 0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 58.39 1ab3 h GLN 70 Cb 1.49 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.97 1ab3 h GLN 70 CO 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 178.83 178.51 1ab3 h ARG 71 N 0.00 0.63 -0.31 1.69 3.08 -1.96 -2.85 114.38 114.66 1ab3 h ARG 71 Ca 0.30 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1ab3 h ARG 71 Cb 1.65 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.74 1ab3 h ARG 71 CO -0.00 1.00 0.00 0.39 -1.07 0.00 0.00 179.97 180.29 1ab3 n GLU 72 N -4.26 1.46 0.00 0.04 1.02 0.10 -4.70 120.64 114.31 1ab3 n GLU 72 Ca -0.05 -0.59 0.00 0.00 -0.02 0.00 0.00 57.16 56.49 1ab3 n GLU 72 Cb 0.51 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 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 0.00 0.00 0.15 1.62 9.92 -0.93 -5.01 116.55 122.31 1ab3 n ASP 73 Ca 0.05 0.00 0.02 0.00 -0.53 0.00 0.00 54.79 54.34 1ab3 n ASP 73 Cb 0.20 0.00 0.16 0.00 -0.64 0.00 0.00 41.12 40.84 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 -1.81 -3.06 132.00 127.00 1ab3 h PRO 74 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.05 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 0.52 -0.31 0.93 -0.23 0.00 0.00 178.00 178.91 1ab3 h GLU 75 N 0.00 0.24 0.00 0.86 5.08 -1.95 -2.80 114.58 116.01 1ab3 h GLU 75 Ca -0.01 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1ab3 h GLU 75 Cb 1.19 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1ab3 h GLU 75 CO 0.07 0.93 0.12 0.00 -1.00 0.00 0.00 179.01 179.13 1ab3 h ARG 76 N -0.37 0.00 -1.89 2.33 3.08 -1.92 -2.10 114.38 113.51 1ab3 h ARG 76 Ca -0.03 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 1ab3 h ARG 76 Cb 1.03 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.04 1ab3 h ARG 76 CO 0.06 0.00 0.09 0.98 -1.07 0.00 0.00 179.97 180.03 1ab3 n TYR 77 N -2.64 0.37 -2.34 3.04 9.36 -1.05 -3.68 117.16 120.21 1ab3 n TYR 77 Ca -0.02 -1.25 0.02 0.00 3.32 0.00 0.00 57.90 59.97 1ab3 n TYR 77 Cb 0.17 -0.64 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 2.89 0.22 0.00 0.00 176.86 179.97 1ab3 n ARG 78 N 1.25 0.00 0.08 2.98 1.85 -0.79 -4.81 116.66 117.22 1ab3 n ARG 78 Ca 0.08 -1.66 0.00 0.00 -1.00 0.00 0.00 57.85 55.27 1ab3 n ARG 78 Cb 0.53 0.01 0.00 0.00 -1.05 0.00 0.00 32.46 31.95 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 0.34 3.00 0.97 2.89 0.00 -1.24 -4.73 120.51 121.74 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 1.00 0.10 0.48 0.00 0.00 0.00 0.00 19.45 21.04 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 -3.34 0.00 0.06 0.00 4.77 -1.26 -2.25 117.00 114.98 1ab3 n LEU 80 Ca 0.00 0.14 -0.17 0.00 -0.03 0.00 0.00 56.01 55.95 1ab3 n LEU 80 Cb 0.00 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 40.87 1ab3 n LEU 80 CO 0.00 -0.06 0.12 0.16 -1.33 0.00 0.00 177.39 176.27 1ab3 h ILE 81 N 0.00 1.35 0.00 -0.08 -0.00 -1.87 -2.93 117.51 113.98 1ab3 h ILE 81 Ca 0.00 -2.40 0.00 0.00 -0.00 0.00 0.00 64.86 62.46 1ab3 h ILE 81 Cb 0.08 2.44 0.00 0.00 -0.00 0.00 0.00 36.82 39.34 1ab3 h ILE 81 CO 0.00 0.73 -0.58 1.21 -0.00 0.00 0.00 178.15 179.50 1ab3 n GLU 82 N -3.78 0.27 -0.82 0.16 2.13 -0.95 -3.46 120.64 114.19 1ab3 n GLU 82 Ca -0.09 0.09 0.07 0.00 0.66 0.00 0.00 57.16 57.89 1ab3 n GLU 82 Cb 0.87 -1.68 0.38 0.00 0.27 0.00 0.00 31.44 31.29 1ab3 n GLU 82 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1ab3 n LYS 83 N -2.07 4.57 0.00 5.31 5.02 -1.10 -4.78 118.16 125.11 1ab3 n LYS 83 Ca 0.04 -3.11 0.00 0.00 -2.02 0.00 0.00 58.31 53.22 1ab3 n LYS 83 Cb 0.43 -2.19 0.00 0.00 -0.02 0.00 0.00 35.03 33.25 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 0.49 0.00 0.00 -0.35 4.77 -1.11 -4.99 117.00 115.80 1ab3 n LEU 84 Ca 0.27 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1ab3 n LEU 84 Cb 1.14 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 42.26 1ab3 n LEU 84 CO 0.30 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 1ab3 n GLY 85 N 0.56 -1.29 0.00 -0.72 0.00 -1.22 -5.10 105.19 97.41 1ab3 n GLY 85 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -5.09 119.36 112.56 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 0.00 9.51 5.12 -1.26 -5.09 116.66 124.94 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