#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 0.00 -2.91 0.52 5.41 -1.26 -4.99 119.36 116.12 1ab3 n ILE 2 Ca 0.00 -0.33 0.00 0.00 1.00 0.00 0.00 62.75 63.42 1ab3 n ILE 2 Cb 0.00 -0.74 0.00 0.00 -0.71 0.00 0.00 39.64 38.19 1ab3 n ILE 2 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 1ab3 n THR 3 N -4.52 0.00 0.00 1.39 5.66 -1.26 -4.95 114.28 110.60 1ab3 n THR 3 Ca 0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 1ab3 n THR 3 Cb 0.58 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.36 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 -0.41 1.09 5.02 -1.26 -2.58 118.16 120.03 1ab3 n LYS 4 Ca 0.00 0.15 0.04 0.00 -2.02 0.00 0.00 58.31 56.48 1ab3 n LYS 4 Cb 0.00 -0.70 0.19 0.00 -0.02 0.00 0.00 35.03 34.51 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 -0.35 2.77 -0.04 1.97 4.71 -1.26 -3.71 120.64 124.73 1ab3 n GLU 5 Ca 0.00 -1.49 0.09 0.00 -0.01 0.00 0.00 57.16 55.75 1ab3 n GLU 5 Cb 0.00 -1.81 0.43 0.00 -1.01 0.00 0.00 31.44 29.06 1ab3 n GLU 5 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1ab3 n GLU 6 N 0.33 1.35 0.00 3.49 -0.58 -1.06 -3.58 120.64 120.58 1ab3 n GLU 6 Ca 0.13 -0.52 0.00 0.00 -0.42 0.00 0.00 57.16 56.35 1ab3 n GLU 6 Cb 0.66 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 30.21 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 -0.25 0.00 -0.18 3.49 -0.00 -1.25 -4.45 118.16 115.53 1ab3 n LYS 7 Ca 0.14 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.36 1ab3 n LYS 7 Cb 0.18 -0.27 0.01 0.00 -0.00 0.00 0.00 35.03 34.95 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 0.85 0.00 -1.58 4.20 -1.73 -1.83 115.11 115.02 1ab3 h GLN 8 Ca 0.00 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.47 1ab3 h GLN 8 Cb 0.00 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.69 1ab3 h GLN 8 CO 0.00 0.85 0.00 1.17 -0.67 0.00 0.00 178.83 180.18 1ab3 n LYS 9 N -4.39 0.14 -0.04 1.46 4.81 -1.23 -1.52 118.16 117.38 1ab3 n LYS 9 Ca 0.01 0.48 -0.16 0.00 -0.87 0.00 0.00 58.31 57.77 1ab3 n LYS 9 Cb 0.27 -1.82 -0.13 0.00 0.02 0.00 0.00 35.03 33.36 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 1.63 -0.03 3.15 2.07 -1.59 -3.34 116.25 118.14 1ab3 h VAL 10 Ca 0.00 -2.38 -0.09 0.00 0.82 0.00 0.00 66.70 65.05 1ab3 h VAL 10 Cb 0.20 3.23 0.01 0.00 -1.52 0.00 0.00 31.29 33.20 1ab3 h VAL 10 CO 0.00 0.61 -0.33 0.16 0.02 0.00 0.00 177.57 178.04 1ab3 h ILE 11 N -0.83 1.48 -1.41 4.57 -2.65 -1.38 -1.70 117.51 115.59 1ab3 h ILE 11 Ca -0.07 -1.87 0.46 0.00 1.03 0.00 0.00 64.86 64.41 1ab3 h ILE 11 Cb 1.20 2.57 -0.11 0.00 -2.05 0.00 0.00 36.82 38.42 1ab3 h ILE 11 CO 0.02 0.53 0.94 0.00 0.03 0.00 0.00 178.15 179.66 1ab3 n GLN 12 N -4.44 -0.03 -0.01 0.16 10.64 -0.58 0.28 117.38 123.42 1ab3 n GLN 12 Ca -0.09 1.12 -0.19 0.00 -1.83 0.00 0.00 57.00 56.01 1ab3 n GLN 12 Cb 0.52 -2.29 -0.14 0.00 -0.86 0.00 0.00 30.24 27.48 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 -4.36 0.73 -0.01 2.61 -0.58 -1.19 -4.65 120.64 113.19 1ab3 n GLU 13 Ca 0.38 0.26 -0.01 0.00 -0.42 0.00 0.00 57.16 57.37 1ab3 n GLU 13 Cb 1.55 -1.71 -0.00 0.00 -0.57 0.00 0.00 31.44 30.71 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 0.06 0.00 -2.94 -0.32 -1.00 0.46 -3.46 116.94 109.74 1ab3 h PHE 14 Ca -0.41 0.00 -0.54 0.00 2.81 0.00 0.00 57.97 59.83 1ab3 h PHE 14 Cb 2.03 0.00 0.01 0.00 3.61 0.00 0.00 35.95 41.59 1ab3 h PHE 14 CO 0.06 0.00 0.80 0.00 -1.61 0.00 0.00 178.31 177.56 1ab3 s ALA 15 N -2.94 3.58 -0.35 2.45 0.00 0.82 -4.87 121.76 120.44 1ab3 s ALA 15 Ca -0.03 0.95 0.04 0.00 0.00 0.00 0.00 51.96 52.93 1ab3 s ALA 15 Cb 0.00 -3.58 0.52 0.00 0.00 0.00 0.00 23.12 20.07 1ab3 s ALA 15 CO 0.04 -0.82 1.66 2.89 0.00 0.00 0.00 175.76 179.53 1ab3 n ARG 16 N 4.95 2.23 -3.67 0.00 0.00 -1.26 -3.85 116.66 115.05 1ab3 n ARG 16 Ca 0.13 -2.28 -0.01 0.00 -0.00 0.00 0.00 57.85 55.69 1ab3 n ARG 16 Cb 0.43 -1.91 -0.01 0.00 -0.00 0.00 0.00 32.46 30.97 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 -2.46 -0.09 -2.00 2.89 0.08 -1.26 -4.93 117.98 110.21 1ab3 s PHE 17 Ca 0.43 -0.09 0.21 0.00 0.12 0.00 0.00 56.93 57.59 1ab3 s PHE 17 Cb 0.35 0.58 1.23 0.00 -0.57 0.00 0.00 43.02 44.62 1ab3 s PHE 17 CO 0.09 -0.52 1.63 -0.35 -0.10 0.00 0.00 175.22 175.97 1ab3 n PRO 18 N -0.46 0.69 0.00 0.24 -0.04 -1.26 -2.61 135.00 131.56 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 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 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 0.12 1.23 0.55 0.00 -1.26 -4.70 105.19 101.50 1ab3 n GLY 19 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.15 3.50 0.05 1.61 2.03 -1.07 -3.63 116.55 118.88 1ab3 n ASP 20 Ca 0.00 -2.48 0.09 0.00 0.52 0.00 0.00 54.79 52.92 1ab3 n ASP 20 Cb 0.09 -0.59 -0.07 0.00 -0.72 0.00 0.00 41.12 39.83 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 0.36 0.50 1.05 5.18 -2.24 -1.26 -3.81 114.28 114.05 1ab3 n THR 21 Ca 0.15 -0.56 0.12 0.00 -2.27 0.00 0.00 64.05 61.49 1ab3 n THR 21 Cb 0.74 -0.27 0.21 0.00 -2.10 0.00 0.00 70.33 68.91 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 1.25 -1.04 3.06 3.38 0.00 -1.24 -4.30 105.19 106.31 1ab3 n GLY 22 Ca -0.04 -0.41 -0.22 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.28 -2.81 0.08 1.61 2.88 -1.25 -4.73 113.62 108.12 1ab3 n SER 23 Ca 0.07 -0.27 -0.06 0.00 -1.33 0.00 0.00 58.87 57.27 1ab3 n SER 23 Cb 0.34 -0.77 -0.05 0.00 -0.75 0.00 0.00 64.21 62.98 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 -2.35 1.65 0.48 2.46 2.02 -1.92 -3.04 112.91 112.20 1ab3 h THR 24 Ca -0.32 -3.10 -0.02 0.00 0.77 0.00 0.00 66.41 63.74 1ab3 h THR 24 Cb 0.93 2.68 0.00 0.00 -1.74 0.00 0.00 68.15 70.02 1ab3 h THR 24 CO 0.21 0.89 -0.23 -0.33 0.37 0.00 0.00 175.52 176.42 1ab3 h GLU 25 N 0.00 -0.62 -1.10 6.66 5.08 -1.93 -1.46 114.58 121.22 1ab3 h GLU 25 Ca -0.01 0.04 0.30 0.00 -1.00 0.00 0.00 59.36 58.69 1ab3 h GLU 25 Cb 1.61 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 30.94 1ab3 h GLU 25 CO 0.12 -0.41 0.75 0.28 -1.00 0.00 0.00 179.01 178.75 1ab3 h VAL 26 N -0.97 0.47 -0.20 3.13 2.07 -1.82 0.34 116.25 119.27 1ab3 h VAL 26 Ca -0.07 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 1ab3 h VAL 26 Cb 0.49 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1ab3 h VAL 26 CO 0.11 0.03 -0.13 1.56 0.02 0.00 0.00 177.57 179.16 1ab3 h GLN 27 N 0.18 0.44 -1.11 1.57 4.20 -1.40 -2.33 115.11 116.66 1ab3 h GLN 27 Ca 0.57 -0.21 0.31 0.00 0.06 0.00 0.00 58.65 59.38 1ab3 h GLN 27 Cb 1.88 -0.00 -0.08 0.00 0.30 0.00 0.00 27.48 29.58 1ab3 h GLN 27 CO -0.14 0.75 0.75 0.28 -0.67 0.00 0.00 178.83 179.80 1ab3 h VAL 28 N 0.13 0.45 -0.28 -0.54 2.07 0.78 1.07 116.25 119.93 1ab3 h VAL 28 Ca 0.04 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.42 1ab3 h VAL 28 Cb 0.64 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1ab3 h VAL 28 CO 0.04 0.04 -0.08 0.00 0.02 0.00 0.00 177.57 177.58 1ab3 h ALA 29 N 1.54 0.39 0.00 1.67 0.00 -1.13 -1.36 119.26 120.37 1ab3 h ALA 29 Ca 0.60 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1ab3 h ALA 29 Cb 1.86 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1ab3 h ALA 29 CO -0.20 0.22 0.00 1.47 0.00 0.00 0.00 179.25 180.74 1ab3 n LEU 30 N -4.49 0.48 0.11 0.00 -0.00 0.34 -1.42 117.00 112.01 1ab3 n LEU 30 Ca -0.03 0.65 -0.02 0.00 -0.00 0.00 0.00 56.01 56.61 1ab3 n LEU 30 Cb 0.32 -0.62 0.21 0.00 -0.00 0.00 0.00 43.42 43.33 1ab3 n LEU 30 CO 0.40 -0.61 0.59 0.17 -0.00 0.00 0.00 177.39 177.95 1ab3 h LEU 31 N 0.00 0.18 -0.13 1.47 8.10 0.56 -2.37 115.31 123.12 1ab3 h LEU 31 Ca 0.00 -0.08 -0.17 0.00 0.11 0.00 0.00 57.88 57.74 1ab3 h LEU 31 Cb 0.22 -0.05 0.01 0.00 -0.44 0.00 0.00 40.66 40.40 1ab3 h LEU 31 CO 0.00 0.64 -0.58 0.00 -4.11 0.00 0.00 178.44 174.38 1ab3 h THR 32 N 0.13 1.33 0.40 0.15 1.03 -1.20 -2.96 112.91 111.79 1ab3 h THR 32 Ca 0.01 -1.86 -0.02 0.00 -0.01 0.00 0.00 66.41 64.53 1ab3 h THR 32 Cb 0.91 2.09 0.00 0.00 -1.07 0.00 0.00 68.15 70.09 1ab3 h THR 32 CO 0.07 0.57 -0.19 0.25 -0.01 0.00 0.00 175.52 176.21 1ab3 h LEU 33 N 0.28 -0.46 -2.11 0.00 7.12 -1.52 -1.16 115.31 117.47 1ab3 h LEU 33 Ca -0.04 -0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.97 1ab3 h LEU 33 Cb 1.22 0.12 0.00 0.00 -0.53 0.00 0.00 40.66 41.47 1ab3 h LEU 33 CO 0.12 -0.30 0.16 0.03 -0.13 0.00 0.00 178.44 178.32 1ab3 h ARG 34 N -0.57 0.00 0.08 1.25 3.08 -1.50 -1.24 114.38 115.48 1ab3 h ARG 34 Ca -0.06 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1ab3 h ARG 34 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1ab3 h ARG 34 CO 0.09 0.00 -0.04 0.82 -1.07 0.00 0.00 179.97 179.77 1ab3 h ILE 35 N 0.00 1.19 -0.81 2.04 5.03 -1.04 -2.40 117.51 121.52 1ab3 h ILE 35 Ca 0.00 -1.25 -0.01 0.00 -0.12 0.00 0.00 64.86 63.47 1ab3 h ILE 35 Cb 0.32 1.96 -0.04 0.00 -3.03 0.00 0.00 36.82 36.03 1ab3 h ILE 35 CO 0.00 0.29 0.45 0.78 -0.68 0.00 0.00 178.15 178.99 1ab3 h ASN 36 N -0.71 1.00 -0.15 1.72 2.35 -0.98 -0.89 115.58 117.91 1ab3 h ASN 36 Ca -0.01 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1ab3 h ASN 36 Cb 0.57 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1ab3 h ASN 36 CO 0.02 0.80 0.00 -1.14 -1.65 0.00 0.00 177.43 175.46 1ab3 n ARG 37 N -4.35 1.37 -0.02 0.81 0.63 -0.93 -3.46 116.66 110.71 1ab3 n ARG 37 Ca 0.08 -0.55 -0.19 0.00 -0.92 0.00 0.00 57.85 56.27 1ab3 n ARG 37 Cb 0.09 -1.13 -0.14 0.00 0.45 0.00 0.00 32.46 31.73 1ab3 n ARG 37 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1ab3 n LEU 38 N -0.05 2.41 0.15 6.15 -0.00 -0.34 -3.90 117.00 121.43 1ab3 n LEU 38 Ca 0.05 0.19 0.01 0.00 -0.00 0.00 0.00 56.01 56.27 1ab3 n LEU 38 Cb 0.14 -0.91 0.22 0.00 -0.00 0.00 0.00 43.42 42.87 1ab3 n LEU 38 CO 0.04 0.80 0.56 -1.28 -0.00 0.00 0.00 177.39 177.50 1ab3 h SER 39 N 0.05 0.00 -0.35 1.96 0.87 -1.58 -2.80 113.55 111.70 1ab3 h SER 39 Ca -0.43 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.11 1ab3 h SER 39 Cb 2.02 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.97 1ab3 h SER 39 CO 0.07 0.53 0.03 -0.62 -0.53 0.00 0.00 176.83 176.31 1ab3 n GLU 40 N -3.66 3.12 0.00 2.24 -0.58 -1.25 -4.20 120.64 116.31 1ab3 n GLU 40 Ca -0.01 -1.81 0.00 0.00 -0.42 0.00 0.00 57.16 54.93 1ab3 n GLU 40 Cb 0.59 -1.92 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 1ab3 n GLU 40 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 1ab3 n HIS 41 N 0.29 0.00 0.75 -0.32 -0.00 -1.06 -3.96 115.22 110.92 1ab3 n HIS 41 Ca 0.18 0.00 0.07 0.00 0.46 0.00 0.00 57.72 58.43 1ab3 n HIS 41 Cb 0.83 -0.24 0.39 0.00 -0.12 0.00 0.00 29.99 30.85 1ab3 n HIS 41 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1ab3 n LEU 42 N -1.23 0.00 -0.70 0.27 4.77 -1.26 -1.68 117.00 117.16 1ab3 n LEU 42 Ca 0.00 0.24 0.02 0.00 -0.03 0.00 0.00 56.01 56.24 1ab3 n LEU 42 Cb 0.00 -0.24 0.09 0.00 -2.33 0.00 0.00 43.42 40.93 1ab3 n LEU 42 CO 0.00 -0.12 0.43 0.29 -1.33 0.00 0.00 177.39 176.66 1ab3 n LYS 43 N -1.24 1.78 0.00 3.23 5.02 -1.25 -4.06 118.16 121.63 1ab3 n LYS 43 Ca 0.08 -0.70 0.00 0.00 -2.02 0.00 0.00 58.31 55.67 1ab3 n LYS 43 Cb 0.11 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 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 0.11 0.00 -1.44 -0.18 0.31 -1.06 -5.03 118.33 111.04 1ab3 n VAL 44 Ca 0.06 0.00 -0.58 0.00 -0.01 0.00 0.00 64.34 63.81 1ab3 n VAL 44 Cb 0.39 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.22 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 -1.47 1.49 1.99 3.52 8.25 -0.68 -4.74 115.22 123.57 1ab3 n HIS 45 Ca 0.00 0.66 0.06 0.00 -0.26 0.00 0.00 57.72 58.18 1ab3 n HIS 45 Cb 0.00 -2.37 0.36 0.00 1.12 0.00 0.00 29.99 29.10 1ab3 n HIS 45 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1ab3 n LYS 46 N 6.91 1.01 -2.65 -0.41 2.85 -1.26 -4.32 118.16 120.28 1ab3 n LYS 46 Ca 0.44 -0.02 -0.04 0.00 -1.05 0.00 0.00 58.31 57.64 1ab3 n LYS 46 Cb 0.05 -1.19 0.08 0.00 -0.65 0.00 0.00 35.03 33.32 1ab3 n LYS 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1ab3 n LYS 47 N -0.67 0.02 -0.33 -1.58 2.85 -1.26 -5.01 118.16 112.16 1ab3 n LYS 47 Ca 0.09 -0.53 0.18 0.00 -1.05 0.00 0.00 58.31 57.00 1ab3 n LYS 47 Cb 0.05 -0.01 0.38 0.00 -0.65 0.00 0.00 35.03 34.80 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 3.07 0.57 0.00 -5.58 3.04 -1.98 -3.45 116.42 112.10 1ab3 h ASP 48 Ca -0.24 0.15 0.00 0.00 -3.24 0.00 0.00 57.03 53.70 1ab3 h ASP 48 Cb 1.23 0.07 0.00 0.00 -1.04 0.00 0.00 39.33 39.60 1ab3 h ASP 48 CO -0.27 0.04 0.00 1.57 -2.04 0.00 0.00 179.24 178.54 1ab3 n HIS 49 N -4.95 0.00 -2.09 4.15 -0.00 -1.26 -2.83 115.22 108.24 1ab3 n HIS 49 Ca 0.27 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.46 1ab3 n HIS 49 Cb 0.77 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 30.64 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 0.00 -0.38 1.57 8.25 -1.26 -5.10 115.22 118.30 1ab3 n HIS 50 Ca 0.00 -0.12 -0.09 0.00 -0.26 0.00 0.00 57.72 57.25 1ab3 n HIS 50 Cb 0.00 -0.07 0.08 0.00 1.12 0.00 0.00 29.99 31.12 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 0.08 -1.98 -0.48 0.41 7.64 -1.13 -3.94 113.62 114.22 1ab3 n SER 51 Ca 0.01 -0.50 -0.06 0.00 1.01 0.00 0.00 58.87 59.33 1ab3 n SER 51 Cb 0.79 -0.31 -0.03 0.00 -1.01 0.00 0.00 64.21 63.65 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 -3.54 0.00 0.06 1.43 -0.00 -1.26 -4.89 115.22 107.02 1ab3 n HIS 52 Ca 0.04 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.62 1ab3 n HIS 52 Cb 0.18 -1.73 -0.08 0.00 -0.00 0.00 0.00 29.99 28.36 1ab3 n HIS 52 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1ab3 h ARG 53 N 0.20 -0.59 -0.63 1.57 3.08 -2.03 -3.37 114.38 112.61 1ab3 h ARG 53 Ca -0.13 0.04 -0.31 0.00 0.07 0.00 0.00 59.98 59.65 1ab3 h ARG 53 Cb 0.70 0.13 -0.25 0.00 0.08 0.00 0.00 29.97 30.64 1ab3 h ARG 53 CO 0.19 -0.40 -0.72 0.41 -1.07 0.00 0.00 179.97 178.38 1ab3 n GLY 54 N -1.46 1.63 1.67 0.04 0.00 -1.26 -4.95 105.19 100.86 1ab3 n GLY 54 Ca -0.06 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 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 0.02 5.18 -0.08 0.99 4.77 -1.26 -3.92 117.00 122.70 1ab3 n LEU 55 Ca 0.08 -2.70 -0.11 0.00 -0.03 0.00 0.00 56.01 53.25 1ab3 n LEU 55 Cb 0.75 -0.74 -0.07 0.00 -2.33 0.00 0.00 43.42 41.03 1ab3 n LEU 55 CO 0.09 0.86 -1.01 0.18 -1.33 0.00 0.00 177.39 176.18 1ab3 n LEU 56 N -0.19 2.79 -0.17 2.23 4.77 -1.26 -4.48 117.00 120.69 1ab3 n LEU 56 Ca 0.30 -0.05 0.21 0.00 -0.03 0.00 0.00 56.01 56.43 1ab3 n LEU 56 Cb 0.98 -0.54 0.59 0.00 -2.33 0.00 0.00 43.42 42.13 1ab3 n LEU 56 CO 0.32 0.72 1.22 -0.03 -1.33 0.00 0.00 177.39 178.29 1ab3 h MET 57 N -0.06 0.23 -0.19 3.23 4.05 -1.97 -0.29 114.93 119.92 1ab3 h MET 57 Ca -0.35 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.06 1ab3 h MET 57 Cb 1.52 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 32.25 1ab3 h MET 57 CO -0.08 0.15 0.09 0.52 0.23 0.00 0.00 176.91 177.83 1ab3 h MET 58 N 0.24 0.20 0.00 0.39 2.86 -1.81 -1.63 114.93 115.18 1ab3 h MET 58 Ca 0.40 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.97 1ab3 h MET 58 Cb 1.20 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.81 1ab3 h MET 58 CO -0.09 0.13 -0.28 0.28 1.06 0.00 0.00 176.91 178.01 1ab3 h VAL 59 N 0.20 1.18 -0.11 -2.22 2.07 -1.31 -1.34 116.25 114.72 1ab3 h VAL 59 Ca 0.08 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1ab3 h VAL 59 Cb 0.02 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1ab3 h VAL 59 CO -0.05 0.28 0.00 0.61 0.02 0.00 0.00 177.57 178.42 1ab3 n GLY 60 N -0.69 -0.47 1.38 2.17 0.00 -0.67 -3.62 105.19 103.29 1ab3 n GLY 60 Ca -0.02 -0.13 0.02 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.17 3.19 0.00 1.61 6.02 -0.51 -4.10 117.38 123.42 1ab3 n GLN 61 Ca 0.04 -1.88 0.00 0.00 -0.01 0.00 0.00 57.00 55.15 1ab3 n GLN 61 Cb 0.10 -1.94 0.00 0.00 1.02 0.00 0.00 30.24 29.42 1ab3 n GLN 61 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1ab3 n ARG 62 N 0.29 0.00 0.09 -1.09 1.74 -1.24 -4.27 116.66 112.18 1ab3 n ARG 62 Ca 0.19 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.34 1ab3 n ARG 62 Cb 0.86 -0.43 0.36 0.00 -1.02 0.00 0.00 32.46 32.23 1ab3 n ARG 62 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1ab3 n ARG 63 N -1.26 0.09 -1.49 5.56 0.63 -1.26 -3.49 116.66 115.44 1ab3 n ARG 63 Ca 0.00 0.53 -0.03 0.00 -0.92 0.00 0.00 57.85 57.44 1ab3 n ARG 63 Cb 0.00 -1.76 0.02 0.00 0.45 0.00 0.00 32.46 31.17 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 -1.95 0.41 0.04 -0.14 0.00 -1.26 -4.95 116.66 108.81 1ab3 n ARG 64 Ca -0.00 -0.67 0.05 0.00 -0.00 0.00 0.00 57.85 57.23 1ab3 n ARG 64 Cb 0.06 0.38 0.22 0.00 0.00 0.00 0.00 32.46 33.12 1ab3 n ARG 64 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1ab3 n LEU 65 N -0.46 0.16 0.01 6.15 -0.00 -1.23 -1.95 117.00 119.68 1ab3 n LEU 65 Ca -0.14 0.56 0.01 0.00 -0.00 0.00 0.00 56.01 56.44 1ab3 n LEU 65 Cb 0.62 -0.57 0.33 0.00 -0.00 0.00 0.00 43.42 43.80 1ab3 n LEU 65 CO -0.09 -0.53 0.97 0.17 -0.00 0.00 0.00 177.39 177.91 1ab3 h LEU 66 N 0.00 0.47 -1.80 1.47 -0.00 -1.92 -1.55 115.31 111.97 1ab3 h LEU 66 Ca 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 1ab3 h LEU 66 Cb 0.09 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 40.63 1ab3 h LEU 66 CO 0.00 0.51 0.34 0.08 -0.00 0.00 0.00 178.44 179.37 1ab3 h ARG 67 N 0.49 0.00 0.00 0.17 -0.00 -1.76 0.37 114.38 113.65 1ab3 h ARG 67 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.09 1ab3 h ARG 67 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.23 1ab3 h ARG 67 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 179.97 180.63 1ab3 n TYR 68 N -2.77 0.00 0.23 4.08 4.02 -0.60 -4.26 117.16 117.86 1ab3 n TYR 68 Ca -0.02 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.78 1ab3 n TYR 68 Cb 0.39 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.66 1ab3 n TYR 68 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1ab3 h LEU 69 N 0.00 -0.50 -1.61 7.72 5.85 -1.56 -1.41 115.31 123.80 1ab3 h LEU 69 Ca 0.00 0.02 0.20 0.00 0.84 0.00 0.00 57.88 58.94 1ab3 h LEU 69 Cb 0.00 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1ab3 h LEU 69 CO 0.00 -0.31 0.78 -0.61 -0.34 0.00 0.00 178.44 177.96 1ab3 h GLN 70 N -0.67 0.00 0.03 1.25 -0.00 -1.46 0.39 115.11 114.66 1ab3 h GLN 70 Ca -0.06 0.00 -0.24 0.00 -0.00 0.00 0.00 58.65 58.35 1ab3 h GLN 70 Cb 0.45 0.00 0.02 0.00 0.00 0.00 0.00 27.48 27.95 1ab3 h GLN 70 CO 0.10 0.00 -0.94 0.00 0.00 0.00 0.00 178.83 177.99 1ab3 h ARG 71 N 0.00 0.58 -0.81 1.69 2.47 0.13 -3.17 114.38 115.28 1ab3 h ARG 71 Ca 0.34 -0.67 0.00 0.00 -1.26 0.00 0.00 59.98 58.39 1ab3 h ARG 71 Cb 1.90 0.20 0.00 0.00 -1.65 0.00 0.00 29.97 30.42 1ab3 h ARG 71 CO -0.00 1.27 0.00 0.39 0.56 0.00 0.00 179.97 182.19 1ab3 n GLU 72 N -3.97 2.76 0.00 0.04 1.02 0.13 -4.73 120.64 115.89 1ab3 n GLU 72 Ca -0.12 -1.42 0.00 0.00 -0.02 0.00 0.00 57.16 55.60 1ab3 n GLU 72 Cb 0.84 -1.84 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 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 0.28 0.00 0.14 1.62 8.00 -0.78 -4.99 116.55 120.82 1ab3 n ASP 73 Ca 0.13 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.63 1ab3 n ASP 73 Cb 0.68 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.90 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 -0.02 -0.24 0.13 -1.83 -3.02 132.00 127.03 1ab3 h PRO 74 Ca 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.92 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 0.59 -0.89 1.49 -0.23 0.00 0.00 178.00 178.96 1ab3 h GLU 75 N 0.00 0.38 0.00 0.86 4.57 -1.95 -2.64 114.58 115.80 1ab3 h GLU 75 Ca -0.01 -0.39 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 1ab3 h GLU 75 Cb 1.24 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.94 1ab3 h GLU 75 CO 0.08 1.06 0.00 0.00 -1.18 0.00 0.00 179.01 178.97 1ab3 h ARG 76 N 0.23 0.00 -1.25 1.92 3.08 -1.87 -2.33 114.38 114.16 1ab3 h ARG 76 Ca -0.06 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.75 1ab3 h ARG 76 Cb 1.51 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.44 1ab3 h ARG 76 CO 0.15 0.00 0.30 0.98 -1.07 0.00 0.00 179.97 180.34 1ab3 n TYR 77 N -2.55 1.27 -2.02 3.04 9.36 -1.00 -3.66 117.16 121.61 1ab3 n TYR 77 Ca 0.00 -1.37 0.00 0.00 3.32 0.00 0.00 57.90 59.85 1ab3 n TYR 77 Cb 0.18 -0.68 0.00 0.00 -0.63 0.00 0.00 39.34 38.20 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 0.12 0.00 0.11 2.98 5.12 -0.87 -4.83 116.66 119.29 1ab3 n ARG 78 Ca 0.25 -0.90 0.00 0.00 -1.93 0.00 0.00 57.85 55.27 1ab3 n ARG 78 Cb 0.80 -0.41 0.00 0.00 -1.16 0.00 0.00 32.46 31.70 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 0.02 3.00 0.37 7.54 0.00 -1.24 -4.74 120.51 125.46 1ab3 n ALA 79 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1ab3 n ALA 79 Cb 0.69 0.06 0.21 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 -3.36 0.00 0.07 0.00 4.32 -1.26 -0.88 117.00 115.90 1ab3 n LEU 80 Ca 0.00 0.41 -0.10 0.00 -0.02 0.00 0.00 56.01 56.30 1ab3 n LEU 80 Cb 0.02 -0.41 -0.13 0.00 -1.62 0.00 0.00 43.42 41.28 1ab3 n LEU 80 CO 0.00 -0.28 0.04 0.16 -1.22 0.00 0.00 177.39 176.08 1ab3 h ILE 81 N 0.00 1.59 -0.01 -0.08 -0.00 -1.86 -3.08 117.51 114.08 1ab3 h ILE 81 Ca 0.00 -3.26 0.00 0.00 -0.00 0.00 0.00 64.86 61.60 1ab3 h ILE 81 Cb 0.13 2.87 0.00 0.00 -0.00 0.00 0.00 36.82 39.82 1ab3 h ILE 81 CO 0.00 0.93 -0.34 -0.62 -0.00 0.00 0.00 178.15 178.11 1ab3 n GLU 82 N -3.41 0.73 -0.80 0.16 4.71 -0.06 -3.85 120.64 118.12 1ab3 n GLU 82 Ca -0.04 -0.46 0.02 0.00 -0.01 0.00 0.00 57.16 56.67 1ab3 n GLU 82 Cb 0.98 -1.49 0.18 0.00 -1.01 0.00 0.00 31.44 30.10 1ab3 n GLU 82 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1ab3 n LYS 83 N -0.74 1.86 0.05 3.49 5.02 -0.80 -4.87 118.16 122.18 1ab3 n LYS 83 Ca 0.11 -3.42 0.00 0.00 -2.02 0.00 0.00 58.31 52.98 1ab3 n LYS 83 Cb 0.36 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 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 -1.05 -0.46 0.00 -0.35 4.77 -1.17 -4.96 117.00 113.78 1ab3 n LEU 84 Ca 0.22 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1ab3 n LEU 84 Cb 0.73 0.60 0.00 0.00 -2.33 0.00 0.00 43.42 42.42 1ab3 n LEU 84 CO 0.02 -0.47 0.00 0.61 -1.33 0.00 0.00 177.39 176.22 1ab3 n GLY 85 N 0.47 -0.10 0.00 -0.72 0.00 -1.26 -5.11 105.19 98.48 1ab3 n GLY 85 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -5.02 119.36 112.61 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 -0.27 0.00 0.00 -0.84 0.00 0.00 39.64 38.53 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 -0.31 0.00 -0.69 9.51 5.12 -1.26 -5.04 116.66 123.98 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