#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 -2.92 0.52 5.41 -1.26 -4.98 119.36 116.13 1ab3 n ILE 2 Ca 0.00 -0.25 0.00 0.00 1.00 0.00 0.00 62.75 63.50 1ab3 n ILE 2 Cb 0.00 -0.50 0.00 0.00 -0.71 0.00 0.00 39.64 38.43 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 -3.97 0.00 0.00 1.39 5.66 -1.26 -4.94 114.28 111.16 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 0.61 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.39 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 -0.44 1.09 4.01 -1.26 -2.46 118.16 119.11 1ab3 n LYS 4 Ca 0.00 0.01 0.04 0.00 -0.51 0.00 0.00 58.31 57.85 1ab3 n LYS 4 Cb 0.00 -0.51 0.20 0.00 -0.51 0.00 0.00 35.03 34.21 1ab3 n LYS 4 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1ab3 n GLU 5 N -0.02 2.90 -0.06 1.97 4.71 -1.26 -3.79 120.64 125.08 1ab3 n GLU 5 Ca 0.00 -1.55 0.08 0.00 -0.01 0.00 0.00 57.16 55.68 1ab3 n GLU 5 Cb 0.00 -1.86 0.34 0.00 -1.01 0.00 0.00 31.44 28.91 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 0.32 1.42 0.00 3.49 -0.58 -1.03 -4.05 120.64 120.20 1ab3 n GLU 6 Ca 0.14 -0.64 0.00 0.00 -0.42 0.00 0.00 57.16 56.24 1ab3 n GLU 6 Cb 0.71 -1.29 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 -0.10 0.00 -0.15 3.49 -0.00 -1.25 -4.38 118.16 115.78 1ab3 n LYS 7 Ca 0.12 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.39 1ab3 n LYS 7 Cb 0.20 -0.22 0.05 0.00 -0.00 0.00 0.00 35.03 35.05 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 0.35 0.00 -1.58 1.08 -1.73 -0.79 115.11 112.44 1ab3 h GLN 8 Ca 0.00 -0.02 -0.07 0.00 -1.45 0.00 0.00 58.65 57.11 1ab3 h GLN 8 Cb 0.00 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 1ab3 h GLN 8 CO 0.00 0.23 -0.35 -0.22 -0.95 0.00 0.00 178.83 177.54 1ab3 h LYS 9 N 0.36 0.00 0.40 1.46 3.64 -1.89 -0.50 116.57 120.04 1ab3 h LYS 9 Ca 0.21 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 1ab3 h LYS 9 Cb 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1ab3 h LYS 9 CO -0.20 0.35 -0.19 0.28 -2.27 0.00 0.00 179.45 177.42 1ab3 h VAL 10 N 0.00 0.58 0.01 2.00 2.07 -1.45 -3.01 116.25 116.45 1ab3 h VAL 10 Ca -0.00 -0.41 -0.11 0.00 0.82 0.00 0.00 66.70 67.00 1ab3 h VAL 10 Cb 1.00 0.77 0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1ab3 h VAL 10 CO 0.05 0.07 -0.46 0.16 0.02 0.00 0.00 177.57 177.41 1ab3 h ILE 11 N -0.78 1.50 -1.28 4.57 -2.65 -1.39 -1.97 117.51 115.51 1ab3 h ILE 11 Ca -0.05 -2.09 0.43 0.00 1.03 0.00 0.00 64.86 64.18 1ab3 h ILE 11 Cb 0.53 2.77 -0.12 0.00 -2.05 0.00 0.00 36.82 37.95 1ab3 h ILE 11 CO 0.09 0.59 0.84 0.00 0.03 0.00 0.00 178.15 179.69 1ab3 n GLN 12 N -4.34 -0.03 -0.00 0.16 1.13 -0.20 0.28 117.38 114.38 1ab3 n GLN 12 Ca -0.10 1.09 -0.20 0.00 -1.94 0.00 0.00 57.00 55.85 1ab3 n GLN 12 Cb 0.61 -2.19 -0.14 0.00 0.11 0.00 0.00 30.24 28.64 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 -4.38 0.74 -0.01 -1.09 2.13 -1.14 -4.65 120.64 112.25 1ab3 n GLU 13 Ca 0.36 0.26 -0.00 0.00 0.66 0.00 0.00 57.16 58.44 1ab3 n GLU 13 Cb 1.43 -1.71 -0.00 0.00 0.27 0.00 0.00 31.44 31.43 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 -1.32 4.31 0.04 0.47 -3.46 116.94 117.03 1ab3 h PHE 14 Ca -0.42 0.00 -0.68 0.00 2.80 0.00 0.00 57.97 59.67 1ab3 h PHE 14 Cb 2.03 0.00 0.09 0.00 2.20 0.00 0.00 35.95 40.27 1ab3 h PHE 14 CO 0.07 0.00 -0.22 0.00 -0.60 0.00 0.00 178.31 177.56 1ab3 n ALA 15 N -2.27 -2.39 -0.13 2.45 0.00 0.80 -4.61 120.51 114.35 1ab3 n ALA 15 Ca -0.00 0.47 0.04 0.00 0.00 0.00 0.00 53.44 53.94 1ab3 n ALA 15 Cb 0.02 -1.75 0.24 0.00 0.00 0.00 0.00 19.45 17.95 1ab3 n ALA 15 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1ab3 n ARG 16 N 1.17 3.28 -3.68 0.00 0.63 -1.23 -4.58 116.66 112.26 1ab3 n ARG 16 Ca 0.17 -1.87 0.01 0.00 -0.92 0.00 0.00 57.85 55.24 1ab3 n ARG 16 Cb 0.23 -1.95 -0.00 0.00 0.45 0.00 0.00 32.46 31.18 1ab3 n ARG 16 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1ab3 s PHE 17 N -2.05 -0.04 -1.47 -0.14 0.08 -1.26 -4.85 117.98 108.26 1ab3 s PHE 17 Ca 0.33 -0.09 0.16 0.00 0.12 0.00 0.00 56.93 57.44 1ab3 s PHE 17 Cb 0.25 0.56 0.80 0.00 -0.57 0.00 0.00 43.02 44.06 1ab3 s PHE 17 CO 0.09 -0.34 1.44 -0.35 -0.10 0.00 0.00 175.22 175.96 1ab3 n PRO 18 N -0.54 0.24 0.00 0.24 -0.04 -1.26 -2.27 135.00 131.37 1ab3 n PRO 18 Ca -0.07 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 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 0.04 -0.37 1.79 0.55 0.00 -1.26 -4.79 105.19 101.14 1ab3 n GLY 19 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.05 4.66 0.11 1.61 8.00 -0.96 -4.01 116.55 125.91 1ab3 n ASP 20 Ca 0.00 -3.00 0.10 0.00 0.71 0.00 0.00 54.79 52.59 1ab3 n ASP 20 Cb 0.28 -0.83 0.01 0.00 -0.02 0.00 0.00 41.12 40.57 1ab3 n ASP 20 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1ab3 h THR 21 N 0.73 0.10 -0.08 -3.53 1.35 -1.87 -3.23 112.91 106.38 1ab3 h THR 21 Ca 0.35 -1.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 1ab3 h THR 21 Cb 1.60 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.70 1ab3 h THR 21 CO 0.72 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 176.66 1ab3 n GLY 22 N 1.20 1.06 0.00 5.82 0.00 -1.26 -4.38 105.19 107.64 1ab3 n GLY 22 Ca -0.01 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 1.32 -1.50 0.05 1.61 2.88 -1.22 -4.79 113.62 111.97 1ab3 n SER 23 Ca 0.15 -0.24 0.13 0.00 -1.33 0.00 0.00 58.87 57.58 1ab3 n SER 23 Cb 0.59 0.00 0.44 0.00 -0.75 0.00 0.00 64.21 64.49 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 -2.74 0.28 0.09 2.46 -1.04 -1.26 -3.08 114.28 108.99 1ab3 n THR 24 Ca 0.00 -0.15 -0.05 0.00 -2.04 0.00 0.00 64.05 61.82 1ab3 n THR 24 Cb 0.00 -0.41 -0.02 0.00 -1.82 0.00 0.00 70.33 68.08 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 -0.29 -0.18 -2.82 5.08 -1.88 -1.59 114.58 112.90 1ab3 h GLU 25 Ca 0.00 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1ab3 h GLU 25 Cb 0.63 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1ab3 h GLU 25 CO 0.00 -0.20 0.12 0.28 -1.00 0.00 0.00 179.01 178.22 1ab3 h VAL 26 N -0.85 0.99 -0.04 3.13 2.07 -1.77 -2.27 116.25 117.50 1ab3 h VAL 26 Ca -0.03 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1ab3 h VAL 26 Cb 0.23 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1ab3 h VAL 26 CO 0.05 0.03 -0.04 1.56 0.02 0.00 0.00 177.57 179.19 1ab3 h GLN 27 N 0.14 0.10 -1.15 1.57 4.20 -1.60 -2.22 115.11 116.16 1ab3 h GLN 27 Ca 0.08 -0.05 0.32 0.00 0.06 0.00 0.00 58.65 59.06 1ab3 h GLN 27 Cb 0.13 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.82 1ab3 h GLN 27 CO -0.01 0.56 0.76 0.28 -0.67 0.00 0.00 178.83 179.74 1ab3 h VAL 28 N -0.35 0.40 -0.24 -0.54 2.07 -0.69 1.14 116.25 118.04 1ab3 h VAL 28 Ca 0.01 -0.08 -0.12 0.00 0.82 0.00 0.00 66.70 67.32 1ab3 h VAL 28 Cb 0.54 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1ab3 h VAL 28 CO 0.01 0.04 -0.32 0.00 0.02 0.00 0.00 177.57 177.32 1ab3 h ALA 29 N 1.56 0.36 0.00 1.67 0.00 -1.27 -2.26 119.26 119.32 1ab3 h ALA 29 Ca 0.64 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1ab3 h ALA 29 Cb 1.93 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1ab3 h ALA 29 CO -0.26 0.41 0.00 1.47 0.00 0.00 0.00 179.25 180.87 1ab3 n LEU 30 N -4.28 0.00 0.05 0.00 -0.00 0.33 -2.51 117.00 110.61 1ab3 n LEU 30 Ca -0.05 0.18 -0.08 0.00 -0.00 0.00 0.00 56.01 56.05 1ab3 n LEU 30 Cb 0.49 -0.18 -0.13 0.00 -0.00 0.00 0.00 43.42 43.61 1ab3 n LEU 30 CO 0.45 -0.04 0.01 0.17 -0.00 0.00 0.00 177.39 177.97 1ab3 h LEU 31 N 0.00 0.06 0.00 1.47 8.10 0.79 -2.43 115.31 123.30 1ab3 h LEU 31 Ca 0.00 -0.07 -0.00 0.00 0.11 0.00 0.00 57.88 57.92 1ab3 h LEU 31 Cb 0.13 -0.02 0.00 0.00 -0.44 0.00 0.00 40.66 40.34 1ab3 h LEU 31 CO 0.00 1.05 -0.00 0.74 -4.11 0.00 0.00 178.44 176.12 1ab3 h THR 32 N 0.01 1.65 -0.78 0.15 2.02 -1.43 -3.01 112.91 111.52 1ab3 h THR 32 Ca -0.07 -2.14 -0.02 0.00 0.77 0.00 0.00 66.41 64.95 1ab3 h THR 32 Cb 1.83 3.07 -0.04 0.00 -1.74 0.00 0.00 68.15 71.28 1ab3 h THR 32 CO 0.13 0.54 0.43 -0.07 0.37 0.00 0.00 175.52 176.92 1ab3 h LEU 33 N -0.95 0.97 -1.30 2.58 3.38 -1.67 -0.42 115.31 117.90 1ab3 h LEU 33 Ca -0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1ab3 h LEU 33 Cb 0.89 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1ab3 h LEU 33 CO 0.00 0.79 0.00 0.03 0.09 0.00 0.00 178.44 179.35 1ab3 h ARG 34 N 1.08 0.00 0.00 1.13 2.47 -1.54 -1.80 114.38 115.73 1ab3 h ARG 34 Ca 0.27 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.93 1ab3 h ARG 34 Cb 0.03 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.34 1ab3 h ARG 34 CO -0.04 0.00 -0.47 0.82 0.56 0.00 0.00 179.97 180.84 1ab3 h ILE 35 N 0.00 0.74 -0.81 2.04 5.03 -0.95 -3.13 117.51 120.42 1ab3 h ILE 35 Ca 0.00 -1.69 0.01 0.00 -0.12 0.00 0.00 64.86 63.06 1ab3 h ILE 35 Cb 0.24 1.54 -0.04 0.00 -3.03 0.00 0.00 36.82 35.53 1ab3 h ILE 35 CO 0.00 0.25 0.54 0.78 -0.68 0.00 0.00 178.15 179.04 1ab3 h ASN 36 N -1.00 0.93 -0.14 1.72 2.35 -1.23 -0.83 115.58 117.37 1ab3 h ASN 36 Ca -0.10 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1ab3 h ASN 36 Cb 0.75 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.89 1ab3 h ASN 36 CO -0.06 0.67 0.00 0.54 -1.65 0.00 0.00 177.43 176.93 1ab3 n ARG 37 N -4.53 1.35 -0.02 0.81 1.74 -0.69 -3.42 116.66 111.92 1ab3 n ARG 37 Ca 0.08 -0.53 -0.18 0.00 -0.77 0.00 0.00 57.85 56.46 1ab3 n ARG 37 Cb 0.02 -1.13 -0.14 0.00 -1.02 0.00 0.00 32.46 30.19 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 -0.07 2.14 -0.14 0.55 7.94 -0.32 -3.36 117.00 123.74 1ab3 n LEU 38 Ca 0.05 0.22 -0.11 0.00 -1.11 0.00 0.00 56.01 55.06 1ab3 n LEU 38 Cb 0.14 -0.73 -0.01 0.00 0.53 0.00 0.00 43.42 43.34 1ab3 n LEU 38 CO 0.03 0.74 0.74 -1.28 -1.11 0.00 0.00 177.39 176.51 1ab3 h SER 39 N 0.05 0.78 -0.35 1.96 0.87 -1.57 -2.59 113.55 112.70 1ab3 h SER 39 Ca -0.41 -0.35 -0.02 0.00 -1.23 0.00 0.00 61.79 59.78 1ab3 h SER 39 Cb 2.03 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 63.76 1ab3 h SER 39 CO 0.07 0.95 0.03 -0.62 -0.53 0.00 0.00 176.83 176.72 1ab3 n GLU 40 N -4.34 3.15 -0.07 2.24 1.02 -1.26 -4.19 120.64 117.19 1ab3 n GLU 40 Ca -0.01 -1.82 -0.10 0.00 -0.02 0.00 0.00 57.16 55.21 1ab3 n GLU 40 Cb 0.35 -1.93 -0.07 0.00 -0.02 0.00 0.00 31.44 29.77 1ab3 n GLU 40 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ab3 h HIS 41 N 2.19 0.00 0.00 -0.32 3.86 -1.46 -3.31 115.15 116.10 1ab3 h HIS 41 Ca 0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1ab3 h HIS 41 Cb 1.41 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.88 1ab3 h HIS 41 CO 0.66 0.65 0.00 1.28 0.86 0.00 0.00 177.93 181.38 1ab3 n LEU 42 N -4.62 0.00 -0.71 2.43 4.32 -1.26 -1.71 117.00 115.46 1ab3 n LEU 42 Ca -0.12 0.17 0.02 0.00 -0.02 0.00 0.00 56.01 56.06 1ab3 n LEU 42 Cb 0.35 -0.17 0.09 0.00 -1.62 0.00 0.00 43.42 42.08 1ab3 n LEU 42 CO 0.17 -0.08 0.44 0.29 -1.22 0.00 0.00 177.39 176.99 1ab3 n LYS 43 N -1.17 1.81 0.00 3.23 4.76 -1.25 -4.10 118.16 121.45 1ab3 n LYS 43 Ca 0.09 -0.73 0.00 0.00 -2.87 0.00 0.00 58.31 54.81 1ab3 n LYS 43 Cb 0.10 -1.55 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 -0.27 -0.18 0.31 -1.09 -4.96 118.33 112.26 1ab3 n VAL 44 Ca 0.06 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.27 1ab3 n VAL 44 Cb 0.40 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.23 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 -1.77 -5.61 3.52 3.86 -1.48 -3.45 115.15 110.22 1ab3 h HIS 45 Ca 0.00 0.10 -0.36 0.00 -1.16 0.00 0.00 60.37 58.95 1ab3 h HIS 45 Cb 0.00 0.86 0.15 0.00 1.06 0.00 0.00 27.41 29.48 1ab3 h HIS 45 CO 0.00 -0.44 -0.69 1.63 0.86 0.00 0.00 177.93 179.30 1ab3 n LYS 46 N -5.32 -7.22 0.00 2.45 4.76 -1.26 -4.84 118.16 106.72 1ab3 n LYS 46 Ca -0.01 0.81 0.00 0.00 -2.87 0.00 0.00 58.31 56.24 1ab3 n LYS 46 Cb 0.31 -5.76 0.00 0.00 -1.84 0.00 0.00 35.03 27.74 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 -4.54 0.00 0.00 1.97 2.85 -1.26 -5.04 118.16 112.13 1ab3 n LYS 47 Ca -0.10 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.16 1ab3 n LYS 47 Cb 0.60 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.98 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 0.00 0.31 -5.58 2.03 -1.26 -5.00 116.55 107.05 1ab3 n ASP 48 Ca 0.00 0.00 0.19 0.00 0.52 0.00 0.00 54.79 55.50 1ab3 n ASP 48 Cb 0.00 0.00 0.99 0.00 -0.72 0.00 0.00 41.12 41.39 1ab3 n ASP 48 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 1ab3 h HIS 49 N 0.00 0.00 -0.64 -0.67 -0.00 -1.98 -0.61 115.15 111.26 1ab3 h HIS 49 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 60.37 60.23 1ab3 h HIS 49 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 27.41 27.32 1ab3 h HIS 49 CO 0.00 0.02 0.18 0.72 -0.00 0.00 0.00 177.93 178.85 1ab3 n HIS 50 N -3.26 2.16 0.00 5.26 -0.00 -1.26 -4.67 115.22 113.46 1ab3 n HIS 50 Ca -0.02 -0.98 0.00 0.00 -0.00 0.00 0.00 57.72 56.72 1ab3 n HIS 50 Cb 0.16 -0.60 0.00 0.00 -0.00 0.00 0.00 29.99 29.54 1ab3 n HIS 50 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1ab3 n SER 51 N 0.09 0.00 -1.61 0.41 2.88 -0.24 -4.74 113.62 110.41 1ab3 n SER 51 Ca 0.34 0.59 -0.12 0.00 -1.33 0.00 0.00 58.87 58.35 1ab3 n SER 51 Cb 1.25 -0.09 -0.04 0.00 -0.75 0.00 0.00 64.21 64.58 1ab3 n SER 51 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1ab3 n HIS 52 N -0.96 -0.64 -0.12 0.66 8.25 -1.26 -4.73 115.22 116.41 1ab3 n HIS 52 Ca 0.00 0.00 0.27 0.00 -0.26 0.00 0.00 57.72 57.73 1ab3 n HIS 52 Cb 0.00 -2.54 0.71 0.00 1.12 0.00 0.00 29.99 29.28 1ab3 n HIS 52 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1ab3 h ARG 53 N 0.00 0.00 0.00 -0.41 0.11 -1.98 -3.29 114.38 108.81 1ab3 h ARG 53 Ca -0.26 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.71 1ab3 h ARG 53 Cb 0.90 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 31.88 1ab3 h ARG 53 CO 0.36 0.00 0.04 0.41 0.10 0.00 0.00 179.97 180.89 1ab3 n GLY 54 N -1.65 -0.19 0.00 0.08 0.00 -1.26 -4.99 105.19 97.18 1ab3 n GLY 54 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.54 0.00 -0.38 0.99 7.94 -1.24 -4.07 117.00 119.70 1ab3 n LEU 55 Ca -0.20 0.00 0.38 0.00 -1.11 0.00 0.00 56.01 55.08 1ab3 n LEU 55 Cb 0.69 0.00 0.68 0.00 0.53 0.00 0.00 43.42 45.32 1ab3 n LEU 55 CO -0.10 -0.68 1.35 -0.07 -1.11 0.00 0.00 177.39 176.78 1ab3 h LEU 56 N 0.00 0.00 -0.63 -1.96 3.38 -1.96 0.25 115.31 114.38 1ab3 h LEU 56 Ca 0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 1ab3 h LEU 56 Cb 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.63 1ab3 h LEU 56 CO 0.00 0.00 -0.36 -0.03 0.09 0.00 0.00 178.44 178.14 1ab3 h MET 57 N 0.00 -0.15 -0.99 1.13 4.05 -1.97 0.59 114.93 117.58 1ab3 h MET 57 Ca 0.63 0.01 0.15 0.00 -0.28 0.00 0.00 59.70 60.22 1ab3 h MET 57 Cb 2.88 0.03 -0.09 0.00 -0.80 0.00 0.00 31.60 33.62 1ab3 h MET 57 CO -0.01 -0.10 0.62 0.52 0.23 0.00 0.00 176.91 178.17 1ab3 h MET 58 N -0.16 0.84 -0.34 0.39 2.86 -1.08 0.18 114.93 117.62 1ab3 h MET 58 Ca 0.23 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.78 1ab3 h MET 58 Cb 0.56 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 1ab3 h MET 58 CO -0.71 0.56 0.05 0.28 1.06 0.00 0.00 176.91 178.14 1ab3 h VAL 59 N 0.86 1.18 0.00 -2.22 2.07 0.00 -1.15 116.25 117.00 1ab3 h VAL 59 Ca 0.52 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1ab3 h VAL 59 Cb 0.68 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1ab3 h VAL 59 CO -0.30 0.23 0.00 1.23 0.02 0.00 0.00 177.57 178.76 1ab3 h GLY 60 N 0.77 0.00 -2.54 2.17 0.00 0.74 -0.32 103.07 103.89 1ab3 h GLY 60 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.41 1ab3 h GLY 60 CO 0.00 0.00 0.05 -1.06 0.00 0.00 0.00 176.54 175.53 1ab3 n GLN 61 N -2.98 3.04 0.00 4.80 6.02 -0.43 -3.58 117.38 124.24 1ab3 n GLN 61 Ca -0.02 -1.78 0.00 0.00 -0.01 0.00 0.00 57.00 55.19 1ab3 n GLN 61 Cb 0.11 -1.91 0.00 0.00 1.02 0.00 0.00 30.24 29.47 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 0.26 3.78 -0.03 -1.09 0.63 -0.13 -4.05 116.66 116.02 1ab3 n ARG 62 Ca 0.18 -0.06 0.15 0.00 -0.92 0.00 0.00 57.85 57.20 1ab3 n ARG 62 Cb 0.84 -0.43 0.58 0.00 0.45 0.00 0.00 32.46 33.90 1ab3 n ARG 62 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1ab3 h ARG 63 N 0.00 0.23 0.00 -0.14 2.43 -1.62 -3.31 114.38 111.97 1ab3 h ARG 63 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1ab3 h ARG 63 Cb 0.03 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1ab3 h ARG 63 CO 0.00 0.15 -0.11 2.89 -1.51 0.00 0.00 179.97 181.39 1ab3 n ARG 64 N -4.45 0.00 -2.15 0.20 1.85 -1.26 -4.92 116.66 105.93 1ab3 n ARG 64 Ca 0.09 -0.23 0.00 0.00 -1.00 0.00 0.00 57.85 56.71 1ab3 n ARG 64 Cb 0.43 -0.12 0.04 0.00 -1.05 0.00 0.00 32.46 31.76 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 0.00 1.62 -0.26 2.89 4.32 -1.24 -4.72 117.00 119.61 1ab3 n LEU 65 Ca 0.00 -2.78 -0.00 0.00 -0.02 0.00 0.00 56.01 53.21 1ab3 n LEU 65 Cb 0.54 0.19 0.06 0.00 -1.62 0.00 0.00 43.42 42.59 1ab3 n LEU 65 CO 0.00 0.91 0.67 0.25 -1.22 0.00 0.00 177.39 178.00 1ab3 h LEU 66 N 1.87 -0.93 0.00 2.23 5.85 -1.72 -2.05 115.31 120.57 1ab3 h LEU 66 Ca -0.13 0.24 -0.37 0.00 0.84 0.00 0.00 57.88 58.46 1ab3 h LEU 66 Cb 1.52 0.54 -0.07 0.00 0.37 0.00 0.00 40.66 43.02 1ab3 h LEU 66 CO 0.18 -0.28 -2.39 -1.14 -0.34 0.00 0.00 178.44 174.47 1ab3 n ARG 67 N -5.48 0.70 0.00 1.25 0.63 -1.26 -4.76 116.66 107.74 1ab3 n ARG 67 Ca 0.09 -0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 1ab3 n ARG 67 Cb 0.39 -1.52 0.00 0.00 0.45 0.00 0.00 32.46 31.78 1ab3 n ARG 67 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 1ab3 n TYR 68 N -2.77 0.00 0.04 -0.14 4.19 -0.77 -4.74 117.16 112.96 1ab3 n TYR 68 Ca -0.33 0.00 0.01 0.00 3.31 0.00 0.00 57.90 60.88 1ab3 n TYR 68 Cb 1.15 0.00 -0.08 0.00 0.49 0.00 0.00 39.34 40.90 1ab3 n TYR 68 CO 0.00 0.00 0.00 -0.11 0.91 0.00 0.00 176.86 177.66 1ab3 n LEU 69 N 0.00 0.86 -0.16 2.98 0.00 -1.26 -3.90 117.00 115.53 1ab3 n LEU 69 Ca 0.00 0.37 0.28 0.00 0.00 0.00 0.00 56.01 56.67 1ab3 n LEU 69 Cb 0.00 0.07 0.63 0.00 0.00 0.00 0.00 43.42 44.11 1ab3 n LEU 69 CO 0.00 0.12 1.26 0.06 0.00 0.00 0.00 177.39 178.83 1ab3 h GLN 70 N 0.00 0.00 -0.11 1.96 3.07 -1.85 0.40 115.11 118.58 1ab3 h GLN 70 Ca -0.15 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.55 1ab3 h GLN 70 Cb 1.55 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 29.11 1ab3 h GLN 70 CO 0.04 0.00 -0.07 0.00 0.09 0.00 0.00 178.83 178.89 1ab3 h ARG 71 N 0.00 0.25 -0.71 0.06 2.47 -1.91 -2.87 114.38 111.66 1ab3 h ARG 71 Ca 0.43 -0.12 0.00 0.00 -1.26 0.00 0.00 59.98 59.03 1ab3 h ARG 71 Cb 2.22 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.54 1ab3 h ARG 71 CO -0.00 0.62 0.00 0.39 0.56 0.00 0.00 179.97 181.53 1ab3 n GLU 72 N -4.68 2.54 0.00 0.04 1.02 0.13 -4.66 120.64 115.04 1ab3 n GLU 72 Ca -0.06 -1.36 0.00 0.00 -0.02 0.00 0.00 57.16 55.72 1ab3 n GLU 72 Cb 0.30 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 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 0.32 0.00 0.11 1.62 8.00 -0.67 -5.03 116.55 120.89 1ab3 n ASP 73 Ca 0.12 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.59 1ab3 n ASP 73 Cb 0.59 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.74 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 0.17 -0.24 0.13 -1.80 -3.02 132.00 127.24 1ab3 h PRO 74 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 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 0.77 -0.08 1.49 -0.23 0.00 0.00 178.00 179.95 1ab3 h GLU 75 N 0.00 -0.22 0.00 0.86 4.81 -1.96 -2.38 114.58 115.69 1ab3 h GLU 75 Ca -0.01 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1ab3 h GLU 75 Cb 1.39 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.82 1ab3 h GLU 75 CO 0.10 0.18 0.16 0.00 -0.73 0.00 0.00 179.01 178.72 1ab3 h ARG 76 N -0.72 0.00 -1.94 1.92 -0.00 -1.94 -2.24 114.38 109.46 1ab3 h ARG 76 Ca -0.02 0.00 -0.11 0.00 -0.50 0.00 0.00 59.98 59.35 1ab3 h ARG 76 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 30.43 1ab3 h ARG 76 CO 0.04 0.00 -0.01 0.98 0.00 0.00 0.00 179.97 180.98 1ab3 n TYR 77 N -2.64 0.28 -2.34 3.04 9.36 -0.90 -3.78 117.16 120.18 1ab3 n TYR 77 Ca -0.02 -1.29 0.02 0.00 3.32 0.00 0.00 57.90 59.93 1ab3 n TYR 77 Cb 0.21 -0.85 0.00 0.00 -0.63 0.00 0.00 39.34 38.07 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 1.54 0.00 0.11 2.98 1.85 -0.84 -4.84 116.66 117.45 1ab3 n ARG 78 Ca 0.16 -1.66 0.00 0.00 -1.00 0.00 0.00 57.85 55.35 1ab3 n ARG 78 Cb 0.61 0.01 0.00 0.00 -1.05 0.00 0.00 32.46 32.03 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 0.79 2.89 0.00 -1.25 -4.77 120.51 121.51 1ab3 n ALA 79 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1ab3 n ALA 79 Cb 1.00 0.05 0.40 0.00 0.00 0.00 0.00 19.45 20.90 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 -3.33 0.00 0.08 0.00 4.32 -1.26 -1.74 117.00 115.07 1ab3 n LEU 80 Ca 0.00 0.18 -0.11 0.00 -0.02 0.00 0.00 56.01 56.06 1ab3 n LEU 80 Cb 0.00 -0.18 -0.05 0.00 -1.62 0.00 0.00 43.42 41.57 1ab3 n LEU 80 CO 0.00 -0.09 0.17 0.16 -1.22 0.00 0.00 177.39 176.41 1ab3 h ILE 81 N 0.00 1.48 -0.01 -0.08 -0.00 -1.88 -2.97 117.51 114.05 1ab3 h ILE 81 Ca 0.00 -2.70 0.00 0.00 -0.00 0.00 0.00 64.86 62.16 1ab3 h ILE 81 Cb 0.09 2.56 0.00 0.00 -0.00 0.00 0.00 36.82 39.46 1ab3 h ILE 81 CO 0.00 0.79 -0.20 -0.62 -0.00 0.00 0.00 178.15 178.12 1ab3 n GLU 82 N -3.64 0.97 -0.81 0.16 1.02 -0.71 -3.85 120.64 113.77 1ab3 n GLU 82 Ca -0.05 -0.55 0.04 0.00 -0.02 0.00 0.00 57.16 56.58 1ab3 n GLU 82 Cb 0.86 -1.49 0.18 0.00 -0.02 0.00 0.00 31.44 30.97 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 -0.53 1.56 0.09 3.49 5.02 -1.15 -4.87 118.16 121.76 1ab3 n LYS 83 Ca 0.14 -3.23 0.00 0.00 -2.02 0.00 0.00 58.31 53.20 1ab3 n LYS 83 Cb 0.34 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 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 -0.92 -0.77 0.00 -0.35 4.77 -1.13 -4.98 117.00 113.62 1ab3 n LEU 84 Ca 0.19 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 1ab3 n LEU 84 Cb 0.76 0.87 0.00 0.00 -2.33 0.00 0.00 43.42 42.72 1ab3 n LEU 84 CO -0.01 -0.47 0.00 0.61 -1.33 0.00 0.00 177.39 176.19 1ab3 n GLY 85 N 0.57 -0.03 0.00 -0.72 0.00 -1.26 -5.02 105.19 98.74 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 -5.05 119.36 112.58 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 -0.26 0.00 0.00 -0.84 0.00 0.00 39.64 38.54 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 -0.33 0.00 0.00 9.51 1.74 -1.26 -5.07 116.66 121.25 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