#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ab3 h ILE 2 N 0.00 0.47 -1.45 0.52 1.08 -2.01 -3.45 117.51 112.66 1ab3 h ILE 2 Ca 0.00 -0.10 0.38 0.00 -0.39 0.00 0.00 64.86 64.75 1ab3 h ILE 2 Cb 0.00 0.16 -0.11 0.00 -3.07 0.00 0.00 36.82 33.80 1ab3 h ILE 2 CO 0.00 0.05 0.95 0.28 -0.69 0.00 0.00 178.15 178.74 1ab3 s THR 3 N -5.36 0.00 0.11 -0.27 -1.32 -1.26 -4.94 115.64 102.60 1ab3 s THR 3 Ca -0.08 -0.07 -0.29 0.00 -1.21 0.00 0.00 61.69 60.03 1ab3 s THR 3 Cb 0.25 -2.33 -0.10 0.00 -1.51 0.00 0.00 72.50 68.81 1ab3 s THR 3 CO 0.80 0.00 1.61 0.07 -2.21 0.00 0.00 174.62 174.90 1ab3 h LYS 4 N 2.00 -0.59 -0.51 7.08 5.09 -2.03 -1.10 116.57 126.51 1ab3 h LYS 4 Ca -0.29 0.04 0.00 0.00 0.09 0.00 0.00 60.65 60.49 1ab3 h LYS 4 Cb 1.19 0.13 0.00 0.00 0.10 0.00 0.00 32.23 33.65 1ab3 h LYS 4 CO 0.30 -0.39 0.00 0.39 -2.09 0.00 0.00 179.45 177.65 1ab3 n GLU 5 N -5.43 1.80 0.00 0.07 -0.58 -1.26 -3.48 120.64 111.75 1ab3 n GLU 5 Ca -0.08 -0.85 0.14 0.00 -0.42 0.00 0.00 57.16 55.95 1ab3 n GLU 5 Cb 0.34 -1.42 0.48 0.00 -0.57 0.00 0.00 31.44 30.27 1ab3 n GLU 5 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1ab3 n GLU 6 N 0.16 1.71 0.00 3.49 -0.58 -0.42 -4.10 120.64 120.91 1ab3 n GLU 6 Ca 0.08 -1.05 0.00 0.00 -0.42 0.00 0.00 57.16 55.76 1ab3 n GLU 6 Cb 0.34 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.73 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 0.28 3.02 -0.28 3.49 4.76 -1.23 -4.48 118.16 123.72 1ab3 n LYS 7 Ca 0.18 0.00 0.18 0.00 -2.87 0.00 0.00 58.31 55.80 1ab3 n LYS 7 Cb 0.38 -0.32 0.47 0.00 -1.84 0.00 0.00 35.03 33.72 1ab3 n LYS 7 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 1ab3 h GLN 8 N 0.00 0.47 0.00 1.97 4.20 -1.71 -3.38 115.11 116.66 1ab3 h GLN 8 Ca 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1ab3 h GLN 8 Cb 0.00 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.67 1ab3 h GLN 8 CO 0.00 0.31 0.00 0.36 -0.67 0.00 0.00 178.83 178.83 1ab3 n LYS 9 N -4.57 0.00 -0.03 1.46 2.85 -1.26 -5.00 118.16 111.60 1ab3 n LYS 9 Ca 0.21 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.35 1ab3 n LYS 9 Cb 0.69 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.97 1ab3 n LYS 9 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1ab3 h VAL 10 N 0.00 1.35 -0.01 0.58 2.07 -1.79 -3.26 116.25 115.19 1ab3 h VAL 10 Ca 0.00 -1.77 -0.09 0.00 0.82 0.00 0.00 66.70 65.67 1ab3 h VAL 10 Cb 0.00 2.44 0.01 0.00 -1.52 0.00 0.00 31.29 32.21 1ab3 h VAL 10 CO 0.00 0.42 -0.33 0.16 0.02 0.00 0.00 177.57 177.84 1ab3 h ILE 11 N -0.89 1.51 -1.54 4.57 -2.65 -1.89 -1.04 117.51 115.58 1ab3 h ILE 11 Ca -0.00 -1.95 0.50 0.00 1.03 0.00 0.00 64.86 64.44 1ab3 h ILE 11 Cb 0.71 2.69 -0.12 0.00 -2.05 0.00 0.00 36.82 38.05 1ab3 h ILE 11 CO 0.01 0.54 1.04 0.00 0.03 0.00 0.00 178.15 179.77 1ab3 n GLN 12 N -4.44 -0.03 -0.01 0.16 -0.00 -1.26 0.28 117.38 112.08 1ab3 n GLN 12 Ca -0.10 1.19 -0.17 0.00 -0.00 0.00 0.00 57.00 57.92 1ab3 n GLN 12 Cb 0.54 -2.45 -0.14 0.00 -0.00 0.00 0.00 30.24 28.18 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 -4.46 0.72 -0.02 2.61 2.13 -1.18 -4.65 120.64 115.80 1ab3 n GLU 13 Ca 0.41 0.26 -0.01 0.00 0.66 0.00 0.00 57.16 58.48 1ab3 n GLU 13 Cb 1.69 -1.72 -0.00 0.00 0.27 0.00 0.00 31.44 31.68 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 -2.74 4.31 0.04 0.50 -3.46 116.94 115.64 1ab3 h PHE 14 Ca -0.40 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 59.84 1ab3 h PHE 14 Cb 2.03 0.00 0.06 0.00 2.20 0.00 0.00 35.95 40.24 1ab3 h PHE 14 CO 0.05 0.00 0.98 0.00 -0.60 0.00 0.00 178.31 178.74 1ab3 n ALA 15 N -2.52 2.73 -0.57 2.45 0.00 0.78 -4.77 120.51 118.61 1ab3 n ALA 15 Ca -0.01 0.40 -0.09 0.00 0.00 0.00 0.00 53.44 53.73 1ab3 n ALA 15 Cb 0.05 -2.51 0.20 0.00 0.00 0.00 0.00 19.45 17.19 1ab3 n ALA 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ab3 n ARG 16 N 3.64 2.68 -3.66 0.00 1.74 -1.25 -4.28 116.66 115.53 1ab3 n ARG 16 Ca 0.15 -2.28 0.02 0.00 -0.77 0.00 0.00 57.85 54.96 1ab3 n ARG 16 Cb 0.35 -1.95 -0.00 0.00 -1.02 0.00 0.00 32.46 29.83 1ab3 n ARG 16 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1ab3 s PHE 17 N -2.40 -0.03 -1.67 -1.55 0.08 -1.26 -4.87 117.98 106.27 1ab3 s PHE 17 Ca 0.42 -0.07 0.18 0.00 0.12 0.00 0.00 56.93 57.57 1ab3 s PHE 17 Cb 0.34 0.55 0.96 0.00 -0.57 0.00 0.00 43.02 44.30 1ab3 s PHE 17 CO 0.10 -0.29 1.50 -0.35 -0.10 0.00 0.00 175.22 176.08 1ab3 n PRO 18 N -0.54 0.38 0.00 0.24 -0.04 -1.26 -2.42 135.00 131.36 1ab3 n PRO 18 Ca -0.07 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 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 0.16 -0.10 1.53 0.55 0.00 -1.26 -4.76 105.19 101.31 1ab3 n GLY 19 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.04 3.52 0.03 1.61 -0.08 -1.02 -3.84 116.55 116.74 1ab3 n ASP 20 Ca 0.00 -2.75 -0.00 0.00 -1.51 0.00 0.00 54.79 50.53 1ab3 n ASP 20 Cb 0.23 -0.66 -0.08 0.00 2.34 0.00 0.00 41.12 42.95 1ab3 n ASP 20 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1ab3 h THR 21 N 1.24 0.51 -0.00 5.18 1.35 -1.86 -3.27 112.91 116.06 1ab3 h THR 21 Ca 0.21 -2.01 0.00 0.00 -0.55 0.00 0.00 66.41 64.06 1ab3 h THR 21 Cb 1.76 2.05 0.00 0.00 -1.73 0.00 0.00 68.15 70.23 1ab3 h THR 21 CO 0.48 0.29 -0.13 0.61 -0.25 0.00 0.00 175.52 176.53 1ab3 n GLY 22 N 1.40 -0.84 2.62 5.82 0.00 -1.25 -4.39 105.19 108.55 1ab3 n GLY 22 Ca -0.10 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.85 -2.93 0.05 1.61 2.88 -1.23 -4.80 113.62 108.35 1ab3 n SER 23 Ca 0.15 -0.41 -0.02 0.00 -1.33 0.00 0.00 58.87 57.25 1ab3 n SER 23 Cb 0.29 -0.67 -0.08 0.00 -0.75 0.00 0.00 64.21 63.00 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 -2.72 0.82 -0.24 2.46 2.02 -1.91 -3.26 112.91 110.08 1ab3 h THR 24 Ca -0.19 -2.40 -0.10 0.00 0.77 0.00 0.00 66.41 64.50 1ab3 h THR 24 Cb 0.63 2.31 -0.00 0.00 -1.74 0.00 0.00 68.15 69.34 1ab3 h THR 24 CO 0.11 0.47 -0.23 -0.33 0.37 0.00 0.00 175.52 175.90 1ab3 h GLU 25 N 0.00 0.58 -0.77 6.66 5.08 -1.93 -1.50 114.58 122.70 1ab3 h GLU 25 Ca -0.14 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 57.89 1ab3 h GLU 25 Cb 1.66 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.89 1ab3 h GLU 25 CO 0.07 0.90 0.38 0.28 -1.00 0.00 0.00 179.01 179.64 1ab3 h VAL 26 N 0.29 1.24 -0.29 3.13 2.07 -1.82 -2.62 116.25 118.26 1ab3 h VAL 26 Ca 0.04 -0.66 -0.13 0.00 0.82 0.00 0.00 66.70 66.78 1ab3 h VAL 26 Cb 0.79 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1ab3 h VAL 26 CO 0.06 0.28 -0.32 0.06 0.02 0.00 0.00 177.57 177.67 1ab3 h GLN 27 N 1.08 0.73 -1.02 1.57 3.07 -1.59 -2.40 115.11 116.55 1ab3 h GLN 27 Ca 0.27 -0.39 0.27 0.00 0.09 0.00 0.00 58.65 58.88 1ab3 h GLN 27 Cb 0.09 0.02 -0.07 0.00 0.08 0.00 0.00 27.48 27.61 1ab3 h GLN 27 CO -0.04 1.01 0.70 0.28 0.09 0.00 0.00 178.83 180.87 1ab3 h VAL 28 N 0.48 0.53 -0.31 1.86 2.07 -0.97 0.87 116.25 120.77 1ab3 h VAL 28 Ca 0.04 -0.07 -0.10 0.00 0.82 0.00 0.00 66.70 67.38 1ab3 h VAL 28 Cb 0.89 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1ab3 h VAL 28 CO 0.08 0.04 -0.21 0.00 0.02 0.00 0.00 177.57 177.50 1ab3 h ALA 29 N 1.55 0.45 0.00 1.67 0.00 -1.07 -1.71 119.26 120.15 1ab3 h ALA 29 Ca 0.53 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ab3 h ALA 29 Cb 1.68 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1ab3 h ALA 29 CO -0.15 0.40 0.00 1.47 0.00 0.00 0.00 179.25 180.97 1ab3 n LEU 30 N -4.31 0.37 0.10 0.00 -0.00 0.27 -1.76 117.00 111.67 1ab3 n LEU 30 Ca -0.03 0.60 -0.04 0.00 -0.00 0.00 0.00 56.01 56.54 1ab3 n LEU 30 Cb 0.42 -0.56 0.15 0.00 -0.00 0.00 0.00 43.42 43.44 1ab3 n LEU 30 CO 0.44 -0.46 0.51 0.17 -0.00 0.00 0.00 177.39 178.04 1ab3 h LEU 31 N 0.00 0.19 -0.26 1.47 8.10 0.33 -3.04 115.31 122.10 1ab3 h LEU 31 Ca 0.00 -0.11 -0.21 0.00 0.11 0.00 0.00 57.88 57.67 1ab3 h LEU 31 Cb 0.28 -0.06 0.00 0.00 -0.44 0.00 0.00 40.66 40.45 1ab3 h LEU 31 CO 0.00 0.73 -0.81 0.00 -4.11 0.00 0.00 178.44 174.25 1ab3 h THR 32 N 0.13 1.34 0.22 0.15 1.03 -1.30 -3.18 112.91 111.30 1ab3 h THR 32 Ca -0.00 -2.15 -0.00 0.00 -0.01 0.00 0.00 66.41 64.25 1ab3 h THR 32 Cb 1.06 2.14 -0.02 0.00 -1.07 0.00 0.00 68.15 70.26 1ab3 h THR 32 CO 0.09 0.66 -0.36 -0.07 -0.01 0.00 0.00 175.52 175.83 1ab3 h LEU 33 N 0.36 -1.03 -1.70 0.00 4.07 -1.53 0.13 115.31 115.61 1ab3 h LEU 33 Ca -0.05 0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1ab3 h LEU 33 Cb 1.42 0.36 0.00 0.00 1.08 0.00 0.00 40.66 43.52 1ab3 h LEU 33 CO 0.15 -0.42 0.21 0.03 -1.08 0.00 0.00 178.44 177.32 1ab3 h ARG 34 N -0.61 0.00 -0.00 1.13 3.08 -1.66 -0.91 114.38 115.41 1ab3 h ARG 34 Ca -0.02 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1ab3 h ARG 34 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1ab3 h ARG 34 CO -0.12 0.00 -0.08 0.82 -1.07 0.00 0.00 179.97 179.52 1ab3 h ILE 35 N 0.00 1.59 -0.42 2.04 5.03 -0.76 -2.57 117.51 122.42 1ab3 h ILE 35 Ca 0.00 -1.85 0.02 0.00 -0.12 0.00 0.00 64.86 62.91 1ab3 h ILE 35 Cb 0.41 2.81 -0.03 0.00 -3.03 0.00 0.00 36.82 36.99 1ab3 h ILE 35 CO 0.00 0.49 0.24 0.78 -0.68 0.00 0.00 178.15 178.98 1ab3 h ASN 36 N -0.68 0.39 -0.13 1.72 2.35 -0.05 -0.83 115.58 118.34 1ab3 h ASN 36 Ca -0.01 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ab3 h ASN 36 Cb 0.84 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.14 1ab3 h ASN 36 CO 0.02 0.28 0.00 0.54 -1.65 0.00 0.00 177.43 176.61 1ab3 n ARG 37 N -4.86 1.31 0.00 0.81 1.74 -1.10 -3.20 116.66 111.36 1ab3 n ARG 37 Ca 0.02 -0.47 -0.03 0.00 -0.77 0.00 0.00 57.85 56.60 1ab3 n ARG 37 Cb 0.07 -1.11 -0.11 0.00 -1.02 0.00 0.00 32.46 30.29 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 -0.11 0.75 -1.33 0.55 -0.00 -0.32 -3.60 117.00 112.94 1ab3 n LEU 38 Ca 0.04 0.34 -0.01 0.00 -0.00 0.00 0.00 56.01 56.38 1ab3 n LEU 38 Cb 0.11 0.14 0.17 0.00 -0.00 0.00 0.00 43.42 43.84 1ab3 n LEU 38 CO 0.03 0.23 0.66 -0.24 -0.00 0.00 0.00 177.39 178.08 1ab3 n SER 39 N -2.89 3.39 -0.67 1.96 2.88 -1.19 -3.82 113.62 113.27 1ab3 n SER 39 Ca -0.14 -2.57 -0.02 0.00 -1.33 0.00 0.00 58.87 54.82 1ab3 n SER 39 Cb 0.91 -0.62 -0.02 0.00 -0.75 0.00 0.00 64.21 63.74 1ab3 n SER 39 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ab3 n GLU 40 N 0.12 0.00 0.00 -1.46 1.02 -1.25 -4.90 120.64 114.17 1ab3 n GLU 40 Ca 0.19 -0.41 0.00 0.00 -0.02 0.00 0.00 57.16 56.91 1ab3 n GLU 40 Cb 0.84 0.10 0.00 0.00 -0.02 0.00 0.00 31.44 32.36 1ab3 n GLU 40 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1ab3 n HIS 41 N 0.02 0.00 0.86 -0.32 -0.00 -1.24 -3.82 115.22 110.71 1ab3 n HIS 41 Ca -0.08 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.19 1ab3 n HIS 41 Cb 0.59 -0.30 0.45 0.00 -0.12 0.00 0.00 29.99 30.61 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 -1.39 0.00 -0.56 0.27 4.32 -1.26 -1.69 117.00 116.69 1ab3 n LEU 42 Ca 0.00 0.24 0.02 0.00 -0.02 0.00 0.00 56.01 56.24 1ab3 n LEU 42 Cb 0.00 -0.24 0.07 0.00 -1.62 0.00 0.00 43.42 41.63 1ab3 n LEU 42 CO 0.00 -0.10 0.43 0.29 -1.22 0.00 0.00 177.39 176.78 1ab3 n LYS 43 N -1.24 1.55 0.00 3.23 4.01 -1.25 -4.05 118.16 120.41 1ab3 n LYS 43 Ca 0.09 -0.52 0.00 0.00 -0.51 0.00 0.00 58.31 57.37 1ab3 n LYS 43 Cb 0.12 -1.44 0.00 0.00 -0.51 0.00 0.00 35.03 33.20 1ab3 n LYS 43 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1ab3 n VAL 44 N 0.03 0.00 -1.65 -0.18 0.31 -1.10 -5.04 118.33 110.71 1ab3 n VAL 44 Ca 0.05 0.00 -0.51 0.00 -0.01 0.00 0.00 64.34 63.86 1ab3 n VAL 44 Cb 0.31 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.18 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 1.91 -0.08 3.52 8.25 -0.68 -4.79 115.22 121.88 1ab3 n HIS 45 Ca 0.00 0.45 0.19 0.00 -0.26 0.00 0.00 57.72 58.09 1ab3 n HIS 45 Cb 0.00 -2.45 0.62 0.00 1.12 0.00 0.00 29.99 29.27 1ab3 n HIS 45 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1ab3 h LYS 46 N 6.08 0.17 0.00 -0.41 1.79 -1.91 -3.40 116.57 118.89 1ab3 h LYS 46 Ca -0.47 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 1ab3 h LYS 46 Cb 1.31 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 1ab3 h LYS 46 CO 0.87 0.11 0.00 0.36 -1.08 0.00 0.00 179.45 179.71 1ab3 n LYS 47 N -4.41 0.00 -0.03 3.15 2.85 -1.26 -5.06 118.16 113.39 1ab3 n LYS 47 Ca 0.12 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.31 1ab3 n LYS 47 Cb 0.59 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.92 1ab3 n LYS 47 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 1ab3 h ASP 48 N 0.00 -0.92 0.00 -5.58 3.58 -1.96 -3.48 116.42 108.06 1ab3 h ASP 48 Ca 0.00 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.56 1ab3 h ASP 48 Cb 0.00 0.37 0.00 0.00 1.72 0.00 0.00 39.33 41.42 1ab3 h ASP 48 CO 0.00 -0.23 0.00 1.57 -2.88 0.00 0.00 179.24 177.70 1ab3 n HIS 49 N -4.05 0.00 -1.12 0.28 -0.00 -1.26 -4.98 115.22 104.09 1ab3 n HIS 49 Ca -0.03 0.00 0.06 0.00 0.46 0.00 0.00 57.72 58.21 1ab3 n HIS 49 Cb 0.19 0.00 0.22 0.00 -0.12 0.00 0.00 29.99 30.28 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 2.55 0.78 -1.71 1.57 8.25 -1.26 -5.02 115.22 120.38 1ab3 n HIS 50 Ca 0.00 -1.07 -0.43 0.00 -0.26 0.00 0.00 57.72 55.96 1ab3 n HIS 50 Cb 0.00 -0.32 -0.03 0.00 1.12 0.00 0.00 29.99 30.76 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 -0.84 3.74 0.00 0.41 7.64 -1.26 -4.42 113.62 118.89 1ab3 n SER 51 Ca 0.23 1.09 0.00 0.00 1.01 0.00 0.00 58.87 61.20 1ab3 n SER 51 Cb 0.88 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 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 3.27 0.00 -0.07 1.43 -0.00 -1.26 -4.96 115.22 113.62 1ab3 n HIS 52 Ca 0.14 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.24 1ab3 n HIS 52 Cb 0.34 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.20 1ab3 n HIS 52 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 1ab3 h ARG 53 N 0.00 0.23 0.00 1.57 2.43 -2.04 -0.28 114.38 116.29 1ab3 h ARG 53 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1ab3 h ARG 53 Cb 0.00 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1ab3 h ARG 53 CO 0.00 0.15 0.00 0.78 -1.51 0.00 0.00 179.97 179.39 1ab3 h GLY 54 N 0.24 0.00 -3.03 2.80 0.00 -1.94 -2.88 103.07 98.26 1ab3 h GLY 54 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.19 1ab3 h GLY 54 CO -0.12 0.00 0.33 1.04 0.00 0.00 0.00 176.54 177.79 1ab3 n LEU 55 N -2.40 5.01 -0.07 3.11 4.77 -0.12 -3.87 117.00 123.43 1ab3 n LEU 55 Ca 0.02 -2.61 -0.10 0.00 -0.03 0.00 0.00 56.01 53.29 1ab3 n LEU 55 Cb 0.27 -0.71 -0.07 0.00 -2.33 0.00 0.00 43.42 40.58 1ab3 n LEU 55 CO 0.23 0.82 -0.97 0.18 -1.33 0.00 0.00 177.39 176.31 1ab3 n LEU 56 N -0.23 2.91 -0.30 2.23 4.77 -1.09 -4.52 117.00 120.78 1ab3 n LEU 56 Ca 0.29 -0.08 0.16 0.00 -0.03 0.00 0.00 56.01 56.36 1ab3 n LEU 56 Cb 1.02 -0.49 0.42 0.00 -2.33 0.00 0.00 43.42 42.03 1ab3 n LEU 56 CO 0.31 0.73 1.21 -0.03 -1.33 0.00 0.00 177.39 178.28 1ab3 h MET 57 N 0.00 0.57 -0.92 3.23 4.05 -1.79 0.13 114.93 120.20 1ab3 h MET 57 Ca -0.32 -0.03 0.10 0.00 -0.28 0.00 0.00 59.70 59.16 1ab3 h MET 57 Cb 1.51 -0.13 -0.08 0.00 -0.80 0.00 0.00 31.60 32.10 1ab3 h MET 57 CO -0.05 0.38 0.56 0.00 0.23 0.00 0.00 176.91 178.03 1ab3 h MET 58 N 0.59 0.90 0.00 0.39 -0.00 -1.81 0.12 114.93 115.12 1ab3 h MET 58 Ca 0.53 -0.05 -0.05 0.00 -0.00 0.00 0.00 59.70 60.12 1ab3 h MET 58 Cb 1.04 -0.20 -0.01 0.00 -0.00 0.00 0.00 31.60 32.43 1ab3 h MET 58 CO -0.27 0.60 -0.25 0.28 -0.00 0.00 0.00 176.91 177.26 1ab3 h VAL 59 N 0.93 0.98 0.00 -0.10 2.07 -1.00 -1.53 116.25 117.59 1ab3 h VAL 59 Ca 0.44 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1ab3 h VAL 59 Cb 0.38 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1ab3 h VAL 59 CO -0.24 0.25 0.00 0.61 0.02 0.00 0.00 177.57 178.20 1ab3 n GLY 60 N -0.57 -0.75 1.39 2.17 0.00 0.41 -2.58 105.19 105.26 1ab3 n GLY 60 Ca -0.02 -0.10 0.01 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 -1.17 3.03 0.00 1.61 6.02 -0.58 -3.84 117.38 122.46 1ab3 n GLN 61 Ca 0.11 -1.83 0.00 0.00 -0.01 0.00 0.00 57.00 55.26 1ab3 n GLN 61 Cb 0.11 -1.91 0.00 0.00 1.02 0.00 0.00 30.24 29.46 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 0.22 0.01 0.28 -1.09 0.63 -1.06 -4.55 116.66 111.10 1ab3 n ARG 62 Ca 0.20 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.98 1ab3 n ARG 62 Cb 0.87 -0.52 -0.08 0.00 0.45 0.00 0.00 32.46 33.19 1ab3 n ARG 62 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ab3 h ARG 63 N 0.00 -0.70 -0.23 -0.14 3.08 -1.70 -2.96 114.38 111.73 1ab3 h ARG 63 Ca 0.00 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1ab3 h ARG 63 Cb 0.04 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1ab3 h ARG 63 CO 0.00 -0.40 0.00 0.54 -1.07 0.00 0.00 179.97 179.04 1ab3 n ARG 64 N -5.30 1.63 -0.35 0.04 1.74 -1.25 -4.15 116.66 109.01 1ab3 n ARG 64 Ca -0.11 -0.96 0.11 0.00 -0.77 0.00 0.00 57.85 56.12 1ab3 n ARG 64 Cb 0.33 -1.28 0.30 0.00 -1.02 0.00 0.00 32.46 30.79 1ab3 n ARG 64 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1ab3 h LEU 65 N 1.69 0.82 -1.17 0.55 6.46 -1.73 0.25 115.31 122.17 1ab3 h LEU 65 Ca 0.00 0.08 -0.05 0.00 -0.12 0.00 0.00 57.88 57.79 1ab3 h LEU 65 Cb 0.38 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.21 1ab3 h LEU 65 CO 0.00 0.35 0.03 0.17 -0.62 0.00 0.00 178.44 178.37 1ab3 h LEU 66 N 0.83 0.56 -1.62 2.25 -0.00 -1.77 -1.43 115.31 114.14 1ab3 h LEU 66 Ca 0.54 -0.10 0.00 0.00 -0.00 0.00 0.00 57.88 58.32 1ab3 h LEU 66 Cb 0.76 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.28 1ab3 h LEU 66 CO -0.33 0.61 0.12 -0.09 -0.00 0.00 0.00 178.44 178.75 1ab3 h ARG 67 N 0.58 0.00 0.00 0.17 2.43 -0.79 0.60 114.38 117.37 1ab3 h ARG 67 Ca 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1ab3 h ARG 67 Cb 0.32 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1ab3 h ARG 67 CO 0.01 0.00 0.00 0.66 -1.51 0.00 0.00 179.97 179.13 1ab3 n TYR 68 N -2.42 0.00 0.22 2.20 4.01 -0.56 -4.31 117.16 116.30 1ab3 n TYR 68 Ca -0.02 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.64 1ab3 n TYR 68 Cb 0.16 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.14 1ab3 n TYR 68 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1ab3 h LEU 69 N 0.00 -0.49 -1.67 7.72 5.85 -1.58 -1.40 115.31 123.74 1ab3 h LEU 69 Ca 0.00 0.02 0.19 0.00 0.84 0.00 0.00 57.88 58.93 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 0.73 -0.61 -0.34 0.00 0.00 178.44 177.91 1ab3 h GLN 70 N -0.66 0.00 -0.10 1.25 -0.00 -1.56 0.38 115.11 114.42 1ab3 h GLN 70 Ca -0.06 0.00 -0.17 0.00 -0.00 0.00 0.00 58.65 58.42 1ab3 h GLN 70 Cb 0.44 0.00 0.01 0.00 0.00 0.00 0.00 27.48 27.93 1ab3 h GLN 70 CO 0.10 0.00 -0.62 0.00 0.00 0.00 0.00 178.83 178.31 1ab3 h ARG 71 N 0.00 0.60 -0.73 1.69 2.47 0.70 -3.06 114.38 116.05 1ab3 h ARG 71 Ca 0.31 -0.51 0.00 0.00 -1.26 0.00 0.00 59.98 58.52 1ab3 h ARG 71 Cb 1.76 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 30.19 1ab3 h ARG 71 CO -0.00 1.13 0.00 0.39 0.56 0.00 0.00 179.97 182.05 1ab3 n GLU 72 N -4.13 2.38 0.00 0.04 1.02 0.13 -4.70 120.64 115.37 1ab3 n GLU 72 Ca -0.08 -1.21 0.00 0.00 -0.02 0.00 0.00 57.16 55.85 1ab3 n GLU 72 Cb 0.66 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 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 0.27 0.00 0.14 1.62 8.00 -0.81 -5.00 116.55 120.77 1ab3 n ASP 73 Ca 0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.61 1ab3 n ASP 73 Cb 0.55 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.78 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 0.05 -0.24 0.13 -1.82 -3.03 132.00 127.10 1ab3 h PRO 74 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.85 1ab3 h PRO 74 Cb 0.00 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.16 1ab3 h PRO 74 CO 0.00 0.60 -1.14 1.49 -0.23 0.00 0.00 178.00 178.73 1ab3 h GLU 75 N 0.00 0.67 0.00 0.86 4.57 -1.95 -2.87 114.58 115.86 1ab3 h GLU 75 Ca -0.01 -0.80 0.00 0.00 -1.18 0.00 0.00 59.36 57.38 1ab3 h GLU 75 Cb 1.24 0.24 0.00 0.00 -0.16 0.00 0.00 28.75 30.07 1ab3 h GLU 75 CO 0.08 1.35 0.00 0.00 -1.18 0.00 0.00 179.01 179.26 1ab3 h ARG 76 N 0.34 0.00 -1.91 1.92 3.08 -1.90 -2.73 114.38 113.18 1ab3 h ARG 76 Ca -0.16 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.67 1ab3 h ARG 76 Cb 1.80 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.76 1ab3 h ARG 76 CO 0.22 0.00 0.02 0.98 -1.07 0.00 0.00 179.97 180.12 1ab3 n TYR 77 N -2.68 0.60 -1.72 3.04 9.36 -1.08 -3.77 117.16 120.90 1ab3 n TYR 77 Ca -0.01 -1.54 0.00 0.00 3.32 0.00 0.00 57.90 59.67 1ab3 n TYR 77 Cb 0.10 -1.14 0.00 0.00 -0.63 0.00 0.00 39.34 37.67 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 1.51 0.00 0.07 2.98 -4.01 -1.03 -4.83 116.66 111.34 1ab3 n ARG 78 Ca 0.30 -0.84 0.00 0.00 -1.04 0.00 0.00 57.85 56.27 1ab3 n ARG 78 Cb 0.67 -0.49 0.00 0.00 -3.04 0.00 0.00 32.46 29.60 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 0.00 3.00 0.27 2.89 0.00 -1.25 -4.68 120.51 120.75 1ab3 n ALA 79 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1ab3 n ALA 79 Cb 0.64 0.16 0.16 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 -3.25 0.00 0.09 0.00 4.32 -1.26 -0.77 117.00 116.13 1ab3 n LEU 80 Ca 0.00 0.47 -0.13 0.00 -0.02 0.00 0.00 56.01 56.33 1ab3 n LEU 80 Cb 0.08 -0.47 -0.12 0.00 -1.62 0.00 0.00 43.42 41.29 1ab3 n LEU 80 CO 0.00 -0.35 0.03 0.16 -1.22 0.00 0.00 177.39 176.01 1ab3 h ILE 81 N 0.00 1.56 -0.00 -0.08 -0.00 -1.88 -3.07 117.51 114.04 1ab3 h ILE 81 Ca 0.00 -3.13 0.00 0.00 -0.00 0.00 0.00 64.86 61.73 1ab3 h ILE 81 Cb 0.12 2.87 0.00 0.00 -0.00 0.00 0.00 36.82 39.81 1ab3 h ILE 81 CO 0.00 0.91 -0.33 -0.62 -0.00 0.00 0.00 178.15 178.11 1ab3 n GLU 82 N -3.49 0.52 -0.92 0.16 -0.58 0.05 -3.84 120.64 112.54 1ab3 n GLU 82 Ca -0.06 -0.30 -0.00 0.00 -0.42 0.00 0.00 57.16 56.38 1ab3 n GLU 82 Cb 0.98 -1.49 0.17 0.00 -0.57 0.00 0.00 31.44 30.52 1ab3 n GLU 82 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1ab3 n LYS 83 N -0.98 2.01 0.07 3.49 5.02 -0.78 -4.86 118.16 122.13 1ab3 n LYS 83 Ca 0.10 -3.48 0.00 0.00 -2.02 0.00 0.00 58.31 52.91 1ab3 n LYS 83 Cb 0.34 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 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 -1.02 -0.65 0.00 -0.35 4.77 -1.17 -4.92 117.00 113.67 1ab3 n LEU 84 Ca 0.24 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1ab3 n LEU 84 Cb 0.75 0.77 0.00 0.00 -2.33 0.00 0.00 43.42 42.61 1ab3 n LEU 84 CO 0.05 -0.46 0.00 0.61 -1.33 0.00 0.00 177.39 176.26 1ab3 n GLY 85 N 0.48 -0.04 0.00 -0.72 0.00 -1.26 -4.96 105.19 98.69 1ab3 n GLY 85 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.25 0.00 0.00 -0.84 0.00 0.00 39.64 38.55 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 -0.23 0.00 0.00 9.51 5.12 -1.26 -5.13 116.66 124.67 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